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
    4.7055    0.4712   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    0.2080    0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.2074    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980    0.4620   -1.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -0.0672    1.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1745   -0.0514    0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102    1.0672    0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464    0.9808    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426   -0.1949    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312   -1.3034    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -1.2354    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9974   -0.2710   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7622    0.4648   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3914    0.7010   -1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307   -0.0106    1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    2.0045    1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    1.8879    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043   -2.2231   -0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -2.1511    0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4827    0.6828    0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4937   -1.0428    0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1601   -0.5866   -1.2178 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