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
    5.5623    0.5191   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    0.7842    0.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935   -0.1401   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005   -1.3130   -0.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    0.1875   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8342   -0.7400   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697   -0.4472   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0369    0.7944    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040    1.0802    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159    0.0696    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8477   -1.2190   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -1.4787   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7661    0.3698    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915    1.5123   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8815    0.0834   -1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9477   -0.1293    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704    1.2295    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -1.7470   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    1.6141    0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518    2.0735    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5904   -2.0163   -0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -2.4753   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1810    0.8138   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3158   -0.5575    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8682    1.1322    1.0638 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