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
   -4.4582   -0.2416   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7626   -0.7701    0.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237   -0.6309    0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.1263    1.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6627    0.0259   -0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    0.1241   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    1.2122    0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    1.3107    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    0.3222   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881   -0.7656   -0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -0.8491   -0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306    0.4080   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9945    0.2726   -0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5495   -0.3228   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2612   -1.2842    1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    1.9973    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    2.1618    0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -1.5021   -1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0507   -1.7080   -1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -0.5086    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1967    1.3059    0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    0.5687   -1.0976 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