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
    4.7707    0.4083   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557    0.8285   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.1004   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218   -1.3044   -0.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555    0.2892   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1186   -0.6144   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598   -0.2791    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    0.9986    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341    1.2516    0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9193    0.2053    0.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5304   -1.0964    0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -1.3097    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0751    0.9356   -1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4988    0.6423   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855   -0.6991   -1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449    1.3121    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687   -1.6589   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114    1.8197    0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3839    2.2513    1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9688    0.3566    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2557   -1.9122    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -2.3247    0.1174 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