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245655-48-5 | 2-Oxabicyclo[2.2.1]heptane-1-carbonyl fluoride, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
CAS No: 245655-48-5 Catalog No: AG002OK0 MDL No:
Product Description
Catalog Number:
AG002OK0
Chemical Name:
2-Oxabicyclo[2.2.1]heptane-1-carbonyl fluoride, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
CAS Number:
245655-48-5
Molecular Formula:
C10H13FO3
Molecular Weight:
200.2068
IUPAC Name:
(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl fluoride
InChI:
InChI=1S/C10H13FO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m0/s1
InChI Key:
DJDKKOAUXOPCND-VHSXEESVSA-N
SMILES:
FC(=O)[C@@]12CC[C@](C2(C)C)(C(=O)O1)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
200.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.209g/mol
Monoisotopic Mass:
200.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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