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
    5.5119    0.7006   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    0.8230   -0.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373    0.0320   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7232   -0.8355    0.7073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    0.2225   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288   -0.5025    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -0.3450    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672   -1.1712    1.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348   -1.0638    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3357   -0.1299    0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302    0.6901   -0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    0.5788   -0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8347   -0.0076    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9390    1.7314   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8264    0.2682    0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8587    0.1111   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4461    0.9898   -0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275   -1.2730    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829   -1.9065    1.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922   -1.7092    1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    1.4280   -1.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5084    1.2368   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1765    0.9296    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2413   -0.9192    0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0775    0.1213   -0.9264 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