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
    4.7381    0.5266   -1.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    0.2352   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    0.3107   -0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057    0.6632   -1.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    0.0146    0.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941    0.1052    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.9677    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136   -0.8711   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755    0.3277    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8533    1.3977    0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942    1.2768    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0331    0.4370   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    0.4783   -0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038    0.8276   -1.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3797   -0.0665    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589   -1.9246   -0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969   -1.7092   -0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905    2.3660    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    2.1141    1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5179   -0.4339    0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4033    1.3609    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3056    0.4044   -1.0960 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