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
    4.5664    0.0284    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543    0.0907    0.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461   -0.6335   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023   -1.3144   -1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618   -0.5873   -0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.1172    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    0.1463    0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560   -0.5230   -0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380   -0.4521   -0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380    0.3248    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.0141    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145    0.9311    1.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130    0.8842   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480    0.0557    1.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8727   -0.9129   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5109   -1.1849   -1.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283    0.6769    0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696   -1.1441   -1.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998   -1.0151   -1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0226    0.3841    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6867    1.6345    1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253    1.4792    1.8029 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