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
    5.1559   -0.4404    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -0.3295    0.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353   -0.9050   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8012   -1.5457   -1.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7064   -0.7566   -0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019   -0.0797    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    0.1125    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992   -0.4028   -0.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5830   -0.1948   -1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1940    0.5314   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286    1.0486    1.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    0.8445    1.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6575    0.7536   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    0.2650    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350   -1.4608    1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6670   -0.2315   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2337   -1.2130   -1.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    0.3606    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -0.9693   -1.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1912   -0.5901   -1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    1.6277    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868    1.2551    1.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9992    1.1898   -1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9409    1.3833    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1505   -0.2528    0.0733 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