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
2.3517 0.7881 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3948 -0.3654 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8698 -1.5743 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0248 -0.1238 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 -1.1320 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3140 -0.8778 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7383 0.4300 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7945 1.4300 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4677 1.2065 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 1.4845 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3314 0.4421 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 1.2713 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9536 -1.7421 0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2486 -2.4440 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6666 -2.1835 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0152 -1.6972 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8014 0.6293 -0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 2.4650 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2853 1.9933 -0.0194 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