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
   -4.5913   -0.2299   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635   -0.1184   -0.1510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699   -0.9887    0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438   -1.8973    1.2136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -0.8634    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053    0.0821   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    0.2506   -0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978    1.2979   -0.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0606    1.4819   -0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    0.6752   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4136   -0.3551    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -0.5536    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9790   -0.6391    0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9013   -0.8118   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9615    0.8035   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526   -1.5675    1.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9466    0.7707   -0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0006    1.9306   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4546    2.3093   -1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0119    0.8346   -0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0525   -1.0322    1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229   -1.3793    1.1591 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