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13150-81-7 | Decane, 2,6-dimethyl-
CAS No: 13150-81-7 Catalog No: AG000ZAH MDL No:
Product Description
Catalog Number:
AG000ZAH
Chemical Name:
Decane, 2,6-dimethyl-
CAS Number:
13150-81-7
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
2,6-dimethyldecane
InChI:
InChI=1S/C12H26/c1-5-6-9-12(4)10-7-8-11(2)3/h11-12H,5-10H2,1-4H3
InChI Key:
DHJGXZWEQBKLNV-UHFFFAOYSA-N
SMILES:
CCCCC(CCCC(C)C)C
Properties
Complexity:
84
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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