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
    4.7597   -0.1773    0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022    0.0392   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -0.0140    0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309   -0.2804    1.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478    0.2094   -0.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1543    0.1492   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977   -1.0428   -0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -1.1243   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5499   -0.0083   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874    1.1918   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.2929   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0241   -0.0659    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066   -0.4049    1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070   -0.1276    0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    0.2693   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672   -1.9134   -1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3836   -2.0826   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    2.0519    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033    2.2311   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913    0.4363    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -1.1329    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5570    0.5036   -0.7098 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