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
   -0.8460   -1.8486   -4.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.9202   -3.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   -0.6785   -2.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9751   -1.3808   -1.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    0.2838   -1.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108    0.4832   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529    1.4180    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594    1.6204    1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376    0.8518    2.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984   -0.0772    1.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844   -0.2609    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    1.1143    3.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7669   -1.9902   -5.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5014   -2.4655   -3.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164   -0.3152   -4.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    2.0342   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2555    2.3655    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028   -0.6566    2.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8912   -1.0181    0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4647    2.1311    4.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.3640    4.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018    1.0125    4.1381 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