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
    4.7628    0.1979    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100   -0.3172   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.1133    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647    0.5401    1.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195   -0.6194   -0.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562   -0.3888   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877   -1.2693    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.0105    0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1103    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239    0.9828   -0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4935    0.7176   -0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9973    0.4034    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    0.7638    1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    0.0395    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -0.8766   -0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203   -2.1542    0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -1.7016    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2979    1.8668   -1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    1.3993   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4858    0.7401   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375    1.2197    0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5429   -0.5302    0.5514 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