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
    4.8034    0.1393   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753   -0.1942    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -0.0602    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194    0.3783   -0.9727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413   -0.3941    1.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156   -0.2438    0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    0.9274    0.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8913    1.0952    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5571    0.0657   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8702   -1.1168   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577   -1.2802    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9817    0.2244   -0.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103    0.5096   -1.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615    0.0618   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -0.5635    1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712    1.7364    1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4469    2.0077    0.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328   -1.9061   -0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0849   -2.2306   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247   -0.5177   -0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3075    1.2409   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    0.1206   -1.7105 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