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
    4.8817   -0.4469   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8496    0.3404   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852   -0.0719   -0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -1.1736    0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426    0.7922   -0.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209    0.5315   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -0.0645   -1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355   -0.3519   -0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -0.0499    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7652    0.5459    1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.8342    1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0099   -0.3401    0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564   -0.1377   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -1.4134   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.3138   -1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684   -0.3066   -1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783   -0.8262   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027    0.7873    2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1959    1.2959    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4701    0.4989    1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374   -1.2876    1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420   -0.4698   -0.0648 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