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629-11-8 | 1,6-Hexanediol
CAS No: 629-11-8 Catalog No: AG0032NH MDL No:MFCD00002985
Product Description
Catalog Number:
AG0032NH
Chemical Name:
1,6-Hexanediol
CAS Number:
629-11-8
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00002985
IUPAC Name:
hexane-1,6-diol
InChI:
InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChI Key:
XXMIOPMDWAUFGU-UHFFFAOYSA-N
SMILES:
OCCCCCCO
EC Number:
211-074-0
UNII:
ZIA319275I
NSC Number:
508
RTECS Number:
MO2100000
Properties
Complexity:
31.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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