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
   -4.7761   -0.6387   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8679   -0.1747    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580   -0.1835    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1041   -0.6357   -0.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545    0.2822    1.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.2403    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395    1.3031   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    1.3026   -0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483    0.2116   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0023   -0.8659    0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.8468    0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    0.1417   -0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8326   -0.6560   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4747   -1.0233   -1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1965    0.1979    1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    2.1598   -0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1710    2.1585   -1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234   -1.7076    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881   -1.6984    1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2479   -1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4041    1.1576   -0.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5630   -0.4767   -0.0437 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