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
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
-2.3275 0.9135 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4526 -0.2819 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0356 -1.4398 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0011 -0.1506 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5804 1.1231 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9410 1.2894 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 0.2363 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2522 -1.0061 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8790 -1.1843 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3530 0.6902 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9588 1.7693 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3426 1.2707 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 -1.5224 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4722 -2.3316 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 1.9785 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4096 2.2809 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8792 0.4119 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8869 -1.8556 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4695 -2.1915 -0.3104 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