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
    5.1976    0.2983    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887    0.2475    0.3558 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -0.3476   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -0.8244   -1.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533   -0.4277   -0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    0.0908    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    0.0532   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234    0.6176    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5870    0.5815    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2531    0.0128   -0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4579   -0.5270   -1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613   -0.5213   -1.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7424   -0.0169   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5839    0.7557   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4541    0.9749    1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -0.7164    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -0.9035   -1.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4610    0.5680    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.0528    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067    1.0183    1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9481   -0.9846   -2.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112   -0.9690   -1.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1932    0.7198    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0805    0.2815   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1343   -1.0343   -0.1260 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