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
    4.5461    0.1932   -0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235    0.1727   -0.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492   -0.3487    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432   -0.7982    1.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.3813    0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2315    0.0716    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886    0.0452    0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -0.4496    1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1940   -0.4481    1.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552    0.0760    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3685    0.5863   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963    0.5639   -0.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802   -0.8505   -0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9955    0.7324    0.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    0.7941   -1.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360   -0.7975    1.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634    0.4904   -0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257   -0.8673    2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -0.8494    2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0367    0.0866    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9309    1.0077   -1.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195    0.9704   -1.6722 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