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
    4.8356    0.4449    0.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    0.5102    1.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    0.1200    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847   -0.3057   -0.9054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    0.1739    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940   -0.2126   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2456   -0.1912   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0787   -0.6264   -1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4504   -0.6165   -1.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0757   -0.1866   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2844    0.2453    0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863    0.2396    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3317    1.0368    1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    0.9442   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438   -0.5828    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    0.5437    1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887   -0.5762   -1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926   -0.9655   -2.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0492   -0.9683   -2.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1538   -0.1975   -0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7684    0.5866    1.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    0.5839    1.6516 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