Monomers

4-Methylphenyl prop-2-enoate

Identifiers

IUPAC name
(4-methylphenyl) prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
OJNXPAPLAAGFBJ-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.0864
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

 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.4298   -0.0903    0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8618   -0.6937   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238   -0.5645   -0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643   -1.1364   -1.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274    0.1642    0.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719    0.2202    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342   -0.7440    0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8972   -0.7212    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821    0.2481   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597    1.2018   -0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899    1.1983   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620    0.2515   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    0.4809    1.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4954   -0.1351    1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4389   -1.2809   -0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369   -1.5387    1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.4843    1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    1.9568   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391    1.9588   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    1.2834   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1339   -0.2617   -1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823   -0.3130    0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 11  6  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers