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
    4.5248   -0.0745    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309   -0.0252    0.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751   -0.6800   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837   -1.3259   -1.7562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140   -0.6132   -0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2954    0.0647    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1545    0.1710    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -0.4457   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815   -0.3210   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8735    0.4224    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0622    1.0564    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030    0.9298    1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    0.7334    0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9780   -0.0370   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326   -1.0301    0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370   -1.1225   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145    0.5699    0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100   -1.0474   -1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294   -0.8087   -1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9316    0.5421    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4591    1.6436    2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    1.3980    1.9176 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