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
    4.3438    0.9352   -0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6160   -0.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825   -0.4964    0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -1.3153    0.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574   -0.7777    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493    0.0868   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756   -0.0370    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -1.1109    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0849   -1.1811    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8886   -0.2069    0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494    0.8685   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9994    0.9618   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0356    0.5345   -0.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3957    2.0533   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742    0.5667   -1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822   -1.6704    0.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    0.9747   -0.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -1.8764    1.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -2.0419    1.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9515   -0.3034    0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0515    1.6124   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600    1.8075   -0.9891 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