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
2.2727 0.6913 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3143 -0.4399 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7429 -1.6615 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 -0.1280 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9413 -1.1160 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2123 -0.7477 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6063 0.5520 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6695 1.5252 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 1.2087 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 0.3215 -0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2793 1.3587 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8787 1.2820 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1542 -2.5526 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7643 -1.8583 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7167 -2.1855 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9104 -1.5536 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6045 0.7534 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9659 2.5633 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3369 1.9870 -0.0791 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