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
    4.7760   -0.9217   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994   -1.1600   -0.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868   -0.1285   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.0180    0.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0547   -0.3737   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976    0.6180    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.4277   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    1.5366    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535    1.4429    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360    0.2123   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2570   -0.9048   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714   -0.7600   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0762    0.0916   -0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128   -1.1643    0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671   -1.6233   -0.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180   -1.3789   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    1.6234    0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191    2.5151    0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0804    2.3193    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1090    0.1326   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -1.8687   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2722   -1.6537   -0.3879 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