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18990-98-2 | 1,3,6-Hexanetriol
CAS No: 18990-98-2 Catalog No: AG002E4K MDL No:
Product Description
Catalog Number:
AG002E4K
Chemical Name:
1,3,6-Hexanetriol
CAS Number:
18990-98-2
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
IUPAC Name:
hexane-1,3,6-triol
InChI:
InChI=1S/C6H14O3/c7-4-1-2-6(9)3-5-8/h6-9H,1-5H2
InChI Key:
AAYGSSGHJGVNSK-UHFFFAOYSA-N
SMILES:
OCCCC(CCO)O
Properties
Complexity:
56.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.175g/mol
Monoisotopic Mass:
134.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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