Monomers

Methyl (2E)-3-(4-methylphenyl)propenoate

Identifiers

IUPAC name
methyl 3-(4-methylphenyl)prop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3
InchI Key
WLJBRXRCJNSDHT-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=CC(=O)OC
Isomeric SMILES
CC1=CC=C(C=C1)C=CC(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.1812
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

 25 25  0  0  0  0  0  0  0  0999 V2000
    5.1247    0.1973    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873   -0.8253    0.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978   -0.4824    0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063    0.7284    0.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328   -1.5019    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5777   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -0.7180   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362   -1.2860   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857   -0.5421   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9371    0.8012   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    1.4229    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913    0.6311    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2365    1.5363   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024    1.1332    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1590    0.3276    1.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220   -0.0388    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -2.5486   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -2.6727   -0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9004   -2.3668   -0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448   -1.0251   -0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6991    2.4833    0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146    1.1398    0.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929    2.6145    0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7212    1.3766   -1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8706    1.1934    0.7917 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
 10 13  1  0
 12  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers