Monomers

2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic Acid

Identifiers

IUPAC name
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
InchI
InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
InchI Key
FIQBJLHOPOSODG-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O
Canonical SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H14O6
Heavy Atom Count
20
Molecular Weight
278.26
Exact Molecular Weight
278.079
Valence Electrons
106
Radical Electrons
0
tPSA
89.9
MolLogP
1.6609
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 34 34  0  0  0  0  0  0  0  0999 V2000
    6.6165   -1.1111    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3594   -0.3377    0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4187    0.9636    0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -0.9989    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396   -2.2414    0.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857   -0.2664    0.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877   -0.8651    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806    0.2475    0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424   -0.2745    0.2662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7912    0.6795    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4635    1.8543    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    0.1456    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -1.2413    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5202   -1.8542   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401   -1.0668   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5460    0.2645    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829    0.9028    0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    2.3269    0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3908    2.9243    0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967    3.1627    0.6115 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4551   -2.1984    0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1736   -0.7626   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580   -0.8190    1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678    1.4490    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    1.5504    0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073   -1.3053   -0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4478   -1.6539    1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866    0.9704   -0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    0.7919    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3903   -1.8344    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -2.9244   -0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6329   -1.5314   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4480    0.8923    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040    4.1612    0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 17 12  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  0
 16 33  1  0
 20 34  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers