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
    4.8275    0.3349    0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8976   -0.4720   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954   -0.1114    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2226    0.9660    0.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4502   -0.9050   -0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1181   -0.5795   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5014    0.1515   -1.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8472    0.5110   -1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    0.1431   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723   -0.5954    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433   -0.9341    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244    0.5026    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    1.2691    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570    0.0759    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926   -1.3924   -0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    0.4685   -2.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3371    1.0823   -1.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868   -0.9162    1.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1577   -1.5071    1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0880    1.4218    0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4201    0.7974   -0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6279   -0.3111    0.5722 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