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17312-49-1 | Decane, 4,6-dimethyl-
CAS No: 17312-49-1 Catalog No: AG001YMC MDL No:
Product Description
Catalog Number:
AG001YMC
Chemical Name:
Decane, 4,6-dimethyl-
CAS Number:
17312-49-1
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
4,6-dimethyldecane
InChI:
InChI=1S/C12H26/c1-5-7-9-12(4)10-11(3)8-6-2/h11-12H,5-10H2,1-4H3
InChI Key:
TVGNRLXIJXKVGD-UHFFFAOYSA-N
SMILES:
CCCCC(CC(CCC)C)C
Properties
Complexity:
86
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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