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
    4.7396   -1.1645    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -1.1063    0.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148   -0.4107   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746    0.2240   -1.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -0.3723    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705    0.3240   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262    0.3953   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626    1.1553   -1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    1.2771   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934    0.6522    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528   -0.0928    1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982   -0.2349    0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1455   -2.1905    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903   -0.6730   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2951   -0.5327    0.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592   -0.9373    1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    0.8483   -1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6311    1.6715   -1.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332    1.8767   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605    0.7389    0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5901   -0.6053    1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764   -0.8428    1.4878 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