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
    4.4983   -0.5052    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915   -0.4196    0.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5078    0.8148    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2697    1.8031   -0.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    0.9305   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2967   -0.1375    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582   -0.0999   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838    1.0469   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816    0.9968   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839   -0.1767   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2556   -1.3237    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -1.2673    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    0.4214    0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813   -1.3438    1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8727   -0.8416   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6545    1.9042   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -1.1029    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3605    1.9866   -0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8155    1.9250   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0642   -0.1819   -0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7937   -2.2511    0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258   -2.1780    0.3226 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