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
    4.8394   -0.6803    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -1.0406    0.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684   -0.0893   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8412    1.1076   -0.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0561   -0.4204   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684    0.5380   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2755    0.3685   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222    1.4655   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4924    1.3384   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0636    0.0839   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -0.9978   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8245   -0.8847   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3179   -1.1570    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.4226    0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747   -0.9900   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -1.4400    0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    1.5803   -0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6627    2.4459   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386    2.2138   -0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1231   -0.0937   -0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6533   -1.9881    0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -1.7828    0.0313 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