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
    5.6170    0.1211   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.3217   -0.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2001    0.4823    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    1.6825    0.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -0.0077   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7983    0.7497    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939    0.3051    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674   -0.9709   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3188   -1.3267   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143   -0.4314    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485    0.8495    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6175    1.1969    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7485   -0.8414    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627   -0.4559   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820    1.1894   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0175    0.0258    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -1.0295   -0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    1.7889    0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220   -1.7047   -0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6202   -2.3222   -0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7302    1.5805    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199    2.2006    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.2569    0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2044   -0.5991   -0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8936   -1.9045    0.2817 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