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
2.6171 -1.4481 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3735 -0.2390 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0346 0.2678 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8264 1.5839 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4558 2.0369 0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5601 1.2415 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3534 -0.0441 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 -0.5168 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 -0.9676 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6573 -1.7845 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8763 -2.1858 -0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2032 0.4449 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7093 2.1753 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6029 3.0553 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5700 1.6519 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 -1.5349 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3400 -0.4904 -0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7600 -1.4546 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1502 -1.7919 -0.9367 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