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1595-06-8 | Benzene, 1-methyl-2-(1-methylpropyl)-
CAS No: 1595-06-8 Catalog No: AG001R4S MDL No:
Product Description
Catalog Number:
AG001R4S
Chemical Name:
Benzene, 1-methyl-2-(1-methylpropyl)-
CAS Number:
1595-06-8
Molecular Formula:
C11H16
Molecular Weight:
148.2447
IUPAC Name:
1-butan-2-yl-2-methylbenzene
InChI:
InChI=1S/C11H16/c1-4-9(2)11-8-6-5-7-10(11)3/h5-9H,4H2,1-3H3
InChI Key:
AMBAWAHKHZZAAY-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.125g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.249g/mol
Monoisotopic Mass:
148.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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