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
    4.4863    0.4895    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0587    0.4359    0.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4730   -0.8334    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1912   -1.8635    0.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.9320    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    0.1682    0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495    0.1486    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451   -1.0114    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320   -1.0193   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009    0.1589   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430    1.3563   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8464    1.3300   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    0.9770    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    1.1483   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382   -0.5223    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6044   -1.9264    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842    1.1301    0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3643   -1.9638    0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7785   -1.9638   -0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9842    0.1296   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553    2.2914   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3419    2.2719   -0.0630 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