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Home > Other Heterocycles > 16725-71-6
16725-71-6 | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2S,4S)-
CAS No: 16725-71-6 Catalog No: AG001X7Y MDL No:
Product Description
Catalog Number:
AG001X7Y
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2S,4S)-
CAS Number:
16725-71-6
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChI Key:
DTGKSKDOIYIVQL-OYNCUSHFSA-N
SMILES:
O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
UNII:
8GDX32M6KF
FEMA Number:
2158
UN Number:
1312
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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