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
    5.5585    0.5625   -0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.7840    0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927   -0.0956   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -1.1097   -0.9740 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778    0.1339   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8359   -0.6904   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5534   -0.4195   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -1.3094   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8858   -1.0790   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003    0.0220    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3467    0.9071    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050    0.6729    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7166    0.3063    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0131   -0.1387    0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7195    0.0980   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0830    1.5321   -0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5605    1.0289    0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627   -1.5864   -0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697   -2.1892   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378   -1.7794   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301    1.7905    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212    1.4084    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9353    0.0799    1.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9768    1.3738    0.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082   -0.3028    0.1612 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