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
    4.3899   -0.4782    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4696    0.6083    0.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1027    0.2209    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8982   -1.0031    0.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    1.2640    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947    1.4022    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1818    0.4901   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113    1.0271   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5339    0.2744   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -1.0775   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537   -1.6323   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013   -0.8550    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3685   -0.0892    0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0153   -1.2751    1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921   -0.8683   -0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622    2.3027    0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116    2.5241    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4116    2.1096   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4494    0.7449   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4225   -1.6454   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114   -2.7048    0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -1.3393    0.4783 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