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Home > Other Heterocycles > 114529-11-2
114529-11-2 | Bicyclo[2.2.1]heptan-2-one, 6-hydroxy-1,7,7-trimethyl-, (1S,4R,6S)-
CAS No: 114529-11-2 Catalog No: AG000EMM MDL No:
Product Description
Catalog Number:
AG000EMM
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 6-hydroxy-1,7,7-trimethyl-, (1S,4R,6S)-
CAS Number:
114529-11-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
5-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6,8,12H,4-5H2,1-3H3
InChI Key:
ASKUROQIUGODMQ-UHFFFAOYSA-N
SMILES:
O[C@H]1C[C@H]2C([C@]1(C)C(=O)C2)(C)C
NSC Number:
657807
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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