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
    4.3567    0.3315   -0.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4361    0.2004   -1.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318    0.0852   -1.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202   -0.0413   -2.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    0.1135   -0.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527    0.0123    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2460   -1.1946    0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498   -1.2683    1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3217   -0.1380    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254    1.0695    0.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215    1.1424    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7223   -0.2433    1.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017    0.4183   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655    0.3549    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649    0.1823   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749   -2.0789    0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953   -2.2285    1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    1.9526    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    2.1053    0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0748    0.6987    2.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4148   -0.4443    0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7981   -1.0296    2.5380 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