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Home > Other Heterocycles > 16613-81-3
16613-81-3 | (1R,3s,5S)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol
CAS No: 16613-81-3 Catalog No: AG01DGR6 MDL No:MFCD28991754
Product Description
Catalog Number:
AG01DGR6
Chemical Name:
(1R,3s,5S)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol
CAS Number:
16613-81-3
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD28991754
IUPAC Name:
(1S,5R)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol
InChI:
InChI=1S/C8H14O/c1-8(2)6-3-5(9)4-7(6)8/h5-7,9H,3-4H2,1-2H3/t5?,6-,7+
InChI Key:
HUADUHNYPJBEBQ-DGUCWDHESA-N
SMILES:
O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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