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
   -3.9532    1.5775   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8481    0.6992   -0.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392   -0.6521   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1894   -1.0292   -0.7331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9658   -1.6872   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142   -1.8749   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -1.0056   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620   -1.6141    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7632   -0.8608    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114    0.4950    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934    1.1205    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570    0.3481    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9190    1.3046    0.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166    2.2480    0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8464    2.2109   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9166    1.0191   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196   -2.7124   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395   -2.9981   -0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   -2.6964   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -1.3477    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    2.1907    0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667    0.8534    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138    0.9502    0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535    2.3654    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2074    1.0961    1.8822 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