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
    4.8312    0.7961   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462    0.9922   -0.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001   -0.0117    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9126   -1.1992    0.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.2801    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588   -0.6817    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2663   -0.4202    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795   -1.4780    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5261   -1.3153    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0536   -0.0499    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045    1.0092   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8283    0.8319   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2889    1.7177   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2569    0.7844    1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1671   -0.0898   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    1.3259   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171   -1.6947    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -2.4659    0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856   -2.1564    0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1217    0.1161    0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5909    2.0123   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077    1.6969   -0.0935 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