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Home > Other Heterocycles > 251645-83-7
251645-83-7 | Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, 3-oxime, (1S,4R)-
CAS No: 251645-83-7 Catalog No: AG002QPP MDL No:MFCD00074849
Product Description
Catalog Number:
AG002QPP
Chemical Name:
Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, 3-oxime, (1S,4R)-
CAS Number:
251645-83-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD00074849
IUPAC Name:
(1S,3Z,4R)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,13H,4-5H2,1-3H3/b11-7-/t6-,10+/m0/s1
InChI Key:
YRNPDSREMSMKIY-VWXBLIEFSA-N
SMILES:
ON=C1C(=O)[C@@]2(C([C@H]1CC2)(C)C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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