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
    5.4352    0.6930   -0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    0.4731   -1.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1505    0.4361   -0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5682    0.6043    1.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442    0.2087   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    0.1763    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -0.0458    0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -0.0666    1.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -0.2704    1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -0.4575   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4401   -0.4474   -1.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611   -0.2353   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7006   -0.6805   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8425    1.3509   -1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5224    1.1839    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0459   -0.2196   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.0742   -1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    0.3230    1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910    0.0827    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370   -0.2884    2.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080   -0.5937   -2.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -0.2273   -1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9378   -1.7499   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2134   -0.1118    0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0273   -0.2116   -1.1652 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