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
    5.1482   -0.8745   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7581   -0.5999   -0.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    0.6206   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9555    1.5646   -0.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7467    0.8450   -0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9886   -0.1568   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579   -0.0552    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825   -1.1942    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486   -1.0989    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1901    0.0867    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4671    1.1878   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798    1.1227   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6786    0.1582    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2364   -1.9790   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6148   -0.2775   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5863   -0.5851    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3420    1.8059   -0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234   -1.1357    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6684   -2.1238    0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094   -1.9904    0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263    2.1421   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    2.0229   -0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0166    1.1143   -0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245    0.0622    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1350   -0.6620   -0.2771 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