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
2.3665 0.8573 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4435 -0.2995 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9630 -1.4829 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 -0.1233 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9122 -1.1371 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2934 -0.9568 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8005 0.3126 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9011 1.3506 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 1.1547 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9947 1.7640 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3423 0.6132 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 1.0025 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3417 -2.3504 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0498 -1.6002 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5981 -2.1581 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9699 -1.8024 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8715 0.5018 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3142 2.3524 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0928 2.0016 0.2847 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