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
   -5.4637   -0.1590    1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1407   -0.5303    0.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0946    0.3475    0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.5683    0.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254   -0.0970    0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    0.7760    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.3708   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -0.9333   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -1.2527   -0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960   -0.2752   -0.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8533    1.0436   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    1.3408   -0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6013   -0.6180   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0158   -1.1004    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9553    0.3219    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4765    0.4479    1.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586   -1.1348    0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9531    1.8514    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149   -1.7568   -0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307   -2.2934   -0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    1.8276   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959    2.4035   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225   -1.1729   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   -1.2705   -2.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1829    0.2951   -1.3267 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