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
    4.4252    0.8602    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470    0.6382    0.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -0.2124   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060   -0.7357   -1.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675   -0.4509   -0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2837    0.1265    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -0.0676    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153   -0.8714   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047   -1.0048   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.3351    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619    0.4597    1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9013    0.5855    1.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176    1.8991    0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8073    0.6084    1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    0.1653   -0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -1.1036   -1.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135    0.7774    0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -1.4079   -1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912   -1.6499   -1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9871   -0.4874    0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8672    0.9734    2.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4146    1.2329    1.9109 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