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
    4.8206   -0.1355   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122   -0.4317   -0.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    0.0907    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560    0.8198    1.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0810   -0.1812   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    0.3375    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758    0.1576    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351    0.7371    1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5837    0.5744    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9714   -0.2015   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -0.8037   -1.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295   -0.6032   -0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5319   -0.9501   -0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7713   -0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    0.1049    0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -0.7980   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    0.9639    1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8881    1.3350    1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3059    1.0457    1.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0428   -0.3277   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4169   -1.4082   -1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364   -1.0969   -1.5118 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