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
    4.5531   -0.0699   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1427   -0.0386   -0.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -1.1554   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -2.2769   -0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -1.0332    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.1209    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400    0.3016    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482   -0.8001    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3267   -0.6261    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696    0.6412    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818    1.7512    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7127    1.5744    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135    0.6888   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435   -1.0381   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    0.2462    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -1.9429    0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505    1.0059   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195   -1.8247    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9779   -1.4866    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9446    0.7906    0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991    2.7463    0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0211    2.4253    0.0274 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