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
   -4.7931   -0.2986    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951   -0.7335    0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    0.1260    0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6748    1.3151    0.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0416   -0.2779   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0841    0.6001   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    0.2625   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730   -0.9833   -0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -1.2469   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522   -0.2542   -0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    0.9744   -0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    1.2833   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5630   -0.8681   -0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9261    0.7946    0.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9351   -0.5255    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145   -1.2931   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3091    1.6070    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364   -1.7713   -0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944   -2.2328   -1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892   -0.5114   -1.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773    1.7609   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    2.2728    0.0922 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