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10171-73-0 | 1,2,6-Hexanetriol, 2,5-dimethyl-
CAS No: 10171-73-0 Catalog No: AG00059Z MDL No:
Product Description
Catalog Number:
AG00059Z
Chemical Name:
1,2,6-Hexanetriol, 2,5-dimethyl-
CAS Number:
10171-73-0
Molecular Formula:
C8H18O3
Molecular Weight:
162.2267
IUPAC Name:
2,5-dimethylhexane-1,2,6-triol
InChI:
InChI=1S/C8H18O3/c1-7(5-9)3-4-8(2,11)6-10/h7,9-11H,3-6H2,1-2H3
InChI Key:
ZLCKVFFTASJQTA-UHFFFAOYSA-N
SMILES:
OCC(CCC(CO)(O)C)C
NSC Number:
82307
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.229g/mol
Monoisotopic Mass:
162.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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