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
    5.0133   -1.1167    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6891   -0.7126    0.4578 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944    0.5275    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    1.3728   -0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    0.7851   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099   -0.1465    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -0.0064    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515   -1.0562    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6291   -0.9864    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2053    0.1969   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    1.2639   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190    1.1560   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6829    0.3209   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0303   -1.7568    1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3377   -1.6904   -0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6324   -0.2005    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975    1.7643   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -1.1026    0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.9940    0.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -1.8044    0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    2.2193   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003    1.9782   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9316    0.4112   -1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1705   -0.6178    0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0197    1.1951    0.2913 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