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
    4.5310    0.4844   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289    0.3397    0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4771   -0.3663    1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670   -0.9111    1.9284 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -0.4879    1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    0.0773    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    0.0207    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -0.6454    0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014   -0.7059    0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167   -0.0575   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950    0.6193   -1.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    0.6577   -0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9191   -0.4658   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9959    0.7054    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    1.3186   -0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5526   -1.0456    1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122    0.6357   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -1.1605    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8757   -1.2379    1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9979   -0.0781   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7341    1.1154   -1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    1.1876   -1.7140 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