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
    4.5046    0.4270   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8765   -0.7202    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282   -0.7925    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8229   -1.8668    0.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760    0.3652    0.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2932    0.2945    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530    0.0689   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278   -0.0090   -0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202    0.1351    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    0.3593    1.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    0.4394    1.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0010    0.0437    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199    1.3396   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627    0.5229   -0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4587   -1.6258    0.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -0.0488   -1.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906   -0.1864   -1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132    0.4732    2.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023    0.6164    2.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3675   -0.9033   -0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4126    0.8756   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3689    0.1921    1.2290 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