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
    4.8467   -0.6941    0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4669   -1.0328    0.2001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720   -0.0772    0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733    1.0718    0.7381 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604   -0.3686    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1762    0.5781    0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668    0.3828    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102   -0.8221   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1824   -0.9892   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0331    0.0749   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158    1.2987    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490    1.4180    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9420    0.1987    1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129   -0.4998   -0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3088   -1.6036    0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -1.3608   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    1.5658    0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928   -1.6860   -0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6230   -1.9319   -0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1006   -0.0544   -0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1660    2.1554    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191    2.3764    0.7129 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