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
    5.6006   -0.2825    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3108    0.1035   -0.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1443   -0.4400    0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223   -1.3459    1.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191   -0.0144    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420   -0.5692    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   -0.2075    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797   -0.8500    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0026   -0.5593    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2846    0.4117   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562    1.0655   -1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252    0.7615   -0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7054    0.7450   -0.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3148    0.3441   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282   -0.0395    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8105   -1.3601    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755    0.7680   -0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891   -1.3570    1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718   -1.6222    1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8144   -1.0810    1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319    1.8435   -1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085    1.2759   -1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3771    0.5876    0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7595    1.8009   -1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0201    0.0213   -1.4996 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