Monomers

4-Methylphenyl prop-2-enoate

Identifiers

IUPAC name
(4-methylphenyl) prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
OJNXPAPLAAGFBJ-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.0864
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.4874    0.1988   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391   -0.7657   -0.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -0.6847   -0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041   -1.6136   -1.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6563    0.3259   -0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2695    0.3912    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455   -0.2137    1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5948   -0.1969    1.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576    0.4217    0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9155    1.0195   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595    1.0144   -0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283    0.4415    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5721    0.1886   -0.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    1.0371    0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -1.5711   -1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7101    1.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9948   -0.6667    2.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6014    1.5052   -1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400    1.4810   -1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    0.5557    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125   -0.4814    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3684    1.3212    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 11  6  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers