Monomers

alpha-Methylstyrene

Identifiers

IUPAC name
prop-1-en-2-ylbenzene
InchI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
XYLMUPLGERFSHI-UHFFFAOYSA-N
SMILES
CC(=C)c1ccccc1
Canonical SMILES
CC(=C)C1=CC=CC=C1
Isomeric SMILES
CC(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.7197
H Bond Acceptors
0
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.3091   -0.8449   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525    0.3372   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979    1.5123    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0132    0.1461   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198   -1.1424   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -1.3459   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672   -0.3179    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676    0.9484    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    1.1474    0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2512   -1.5742    0.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443   -1.3696   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3694   -0.6026   -0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991    1.5788   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946    2.3828    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231   -1.9777   -0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3269   -2.3325   -0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -0.5002    0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    1.7957    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510    2.1590    0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers