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113947-88-9 | Benzene, 1-methyl-3-(3-methyl-3-buten-1-yl)-
CAS No: 113947-88-9 Catalog No: AG000A5G MDL No:
Product Description
Catalog Number:
AG000A5G
Chemical Name:
Benzene, 1-methyl-3-(3-methyl-3-buten-1-yl)-
CAS Number:
113947-88-9
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
1-methyl-3-(3-methylbut-3-enyl)benzene
InChI:
InChI=1S/C12H16/c1-10(2)7-8-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3
InChI Key:
OBGGAXIMGRZTTL-UHFFFAOYSA-N
SMILES:
CC(=C)CCc1cccc(c1)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.125g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.26g/mol
Monoisotopic Mass:
160.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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