Monomers
3-Methylstyrene
Identifiers
IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
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
2.638
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
-3.3527 -0.1989 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1904 -0.7861 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8991 -0.1176 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8074 1.2487 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4364 1.8829 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5914 1.1375 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4809 -0.2137 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -0.8689 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7144 -1.0255 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4263 0.8806 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2560 -0.8026 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1711 -1.8865 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6906 1.8697 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4453 2.9440 0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 1.6493 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2003 -1.9488 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5735 -2.0700 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5642 -0.5862 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9436 -1.1080 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers