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
   -4.3985   -0.0290   -0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8200   -1.0162   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -0.9433    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915   -1.8981    0.7238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    0.1157   -0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679    0.2173    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028    0.8079    1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493    0.8980    1.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    0.3941    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -0.1958   -0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6341   -0.2915   -0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9273    0.4528    0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4617   -0.0721   -1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002    0.8168   -1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300   -1.8801    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    1.2026    1.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    1.3554    2.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161   -0.5934   -1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -0.7573   -1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1706    1.0745    1.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -0.5730    0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4342    0.9144   -0.1551 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