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1002-17-1 | Decane, 2,9-dimethyl-
CAS No: 1002-17-1 Catalog No: AG00017Q MDL No:
Product Description
Catalog Number:
AG00017Q
Chemical Name:
Decane, 2,9-dimethyl-
CAS Number:
1002-17-1
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
2,9-dimethyldecane
InChI:
InChI=1S/C12H26/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,5-10H2,1-4H3
InChI Key:
HWISDPDDDUZJAW-UHFFFAOYSA-N
SMILES:
CC(CCCCCCC(C)C)C
Properties
Complexity:
70
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.203g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.34g/mol
Monoisotopic Mass:
170.203g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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