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
    5.5185   -0.0182   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1809    0.4175   -0.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467   -0.4170   -0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254   -1.6429   -0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    0.0662   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -0.7640    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -0.3622    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278   -1.2777    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480   -0.9313    0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635    0.3703    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194    1.3032    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.9290    0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6864    0.7760    0.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7645   -0.6454    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1778    0.8694   -0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5854   -0.6309   -1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940    1.1143   -0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -1.7992    0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2525   -2.3139    0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5711   -1.6884    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    2.3209    0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    1.7011   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8388    1.7722    0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8948    0.7903    2.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3151    0.0607    0.3862 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