Monomers

2-Propenoic acid, 3-phenyl-, methyl ester

Identifiers

IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=CC=CC=C1
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
1.8728
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
    4.8850    0.2038   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    0.5559   -0.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773   -0.3097   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366   -1.5272    0.0758 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0617    0.1200   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -0.7042   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -0.2802   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890    1.0241   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205    1.4164   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0088    0.4703   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6733   -0.8443    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3596   -1.1915    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658    1.1569   -0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665   -0.4583    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605   -0.2608   -1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190    1.1699   -0.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067   -1.7519    0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9744    1.8152   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2843    2.4671   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0446    0.7595   -0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4577   -1.6008    0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -2.2303    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers