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
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
2.4062 0.5204 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4014 -0.4870 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7905 -1.6536 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 -0.1364 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0416 -0.9649 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.5827 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7300 0.6604 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 1.5048 -0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 1.1300 -0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 0.1692 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2440 1.5083 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2999 0.6098 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1365 -2.4304 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 -1.8842 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 -1.9511 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1464 -1.2723 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7670 0.9616 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 2.4857 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4042 1.8123 -0.7260 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