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
    4.5429   -0.2204   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    0.0475    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    0.1075    0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330    0.3656    1.9449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6474   -0.1056   -0.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592   -0.0522   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005   -1.1881    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -1.1686    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5013    0.0324   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8201    1.1899   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    1.1230   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9873    0.0808   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -0.4072   -1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6209   -0.2532   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094    0.2250    1.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419   -2.1142    0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670   -2.0356    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3820    2.0953   -0.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995    2.0433   -0.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606    0.7578    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.9425    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3352    0.4195   -1.0194 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