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
2.3157 -0.2935 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 0.1813 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6521 0.6932 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0918 0.0696 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2458 -0.4834 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6604 -0.6269 -2.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9483 -0.1997 -2.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 0.3537 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3923 0.4823 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2304 -1.3756 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9001 -0.3105 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 0.2264 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 1.0656 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 0.7778 2.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2826 -0.7993 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3343 -1.0648 -3.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6730 -0.3019 -2.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3489 0.6860 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7047 0.9197 1.1285 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