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Home > Other Heterocycles > 78436-33-6
78436-33-6 | 2-Oxabicyclo[2.2.1]heptane-1-carbonylchloride, 7,7-dimethyl-3-oxo-, (1R)- (9CI)
CAS No: 78436-33-6 Catalog No: AG0053IR MDL No:
Product Description
Catalog Number:
AG0053IR
Chemical Name:
2-Oxabicyclo[2.2.1]heptane-1-carbonylchloride, 7,7-dimethyl-3-oxo-, (1R)- (9CI)
CAS Number:
78436-33-6
Molecular Formula:
C9H11ClO3
Molecular Weight:
202.6348
IUPAC Name:
(1R)-7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
InChI:
InChI=1S/C9H11ClO3/c1-8(2)5-3-4-9(8,7(10)12)13-6(5)11/h5H,3-4H2,1-2H3/t5?,9-/m0/s1
InChI Key:
KTHZWMJJHQEOGX-YQFNKJDISA-N
SMILES:
O=C1O[C@]2(C(C1CC2)(C)C)C(=O)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.634g/mol
Monoisotopic Mass:
202.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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