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
    4.5532    0.1227   -0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1475    0.1158   -0.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -0.5354    0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022   -1.1587    1.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433   -0.5322    0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    0.0997   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702    0.1200   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337   -0.5189    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343   -0.4716    1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879    0.2141    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3190    0.8587   -0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515    0.8195   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970   -0.0339    0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9022    1.0952   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -0.6480   -1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239   -1.0648    1.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    0.6460   -1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -1.0813    1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -0.9986    1.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0504    0.2180    0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9185    1.3984   -1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380    1.3355   -1.8089 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