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
    4.5727   -0.9891    1.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -1.1443    0.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156   -0.1971    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    0.9083    1.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0009   -0.4047    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0846    0.5370    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    0.4588   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465   -0.6796   -1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9078   -0.7725   -1.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7585    0.3094   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3636    1.4767   -0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993    1.5264   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3902   -0.9862    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6539   -0.1165    1.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755   -1.9110    1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -1.3476   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584    1.4787    0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0126   -1.5644   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2388   -1.6763   -2.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7598    0.3063   -1.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0091    2.3434   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7549    2.4441    0.1896 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