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
2.1124 -0.8241 1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4597 0.0495 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 0.7135 -0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0098 0.0790 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7003 0.8506 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0735 0.8692 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7857 0.1327 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0672 -0.6279 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6970 -0.6728 0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7345 -0.5903 2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 -1.8588 0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 -0.7082 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8567 1.3559 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3012 0.6136 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1325 1.4373 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5864 1.4901 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8597 0.1874 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6192 -1.2061 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1460 -1.2906 1.6847 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