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99181-50-7 | Adamantane-1,3,5-triol
CAS No: 99181-50-7 Catalog No: AG003DG3 MDL No:MFCD08276262
Product Description
Catalog Number:
AG003DG3
Chemical Name:
Adamantane-1,3,5-triol
CAS Number:
99181-50-7
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD08276262
IUPAC Name:
adamantane-1,3,5-triol
InChI:
InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2
InChI Key:
MCYBYTIPMYLHAK-UHFFFAOYSA-N
SMILES:
OC12CC3CC(C2)(CC(C1)(C3)O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Regioselective synthesis of 1,3,5-adamantanetriol from 1,3-adamantanediol using Kitasatospora cells. | Biotechnology letters 20120901 |
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