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Home > Other Heterocycles > 129940-79-0
129940-79-0 | Bicyclo[2.2.1]heptane-2-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1R,2S,4R)-
CAS No: 129940-79-0 Catalog No: AG000TTD MDL No:
Product Description
Catalog Number:
AG000TTD
Chemical Name:
Bicyclo[2.2.1]heptane-2-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1R,2S,4R)-
CAS Number:
129940-79-0
Molecular Formula:
C11H15ClO2
Molecular Weight:
214.6886
IUPAC Name:
(1R,2S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl chloride
InChI:
InChI=1S/C11H15ClO2/c1-10(2)6-4-5-11(10,3)8(13)7(6)9(12)14/h6-7H,4-5H2,1-3H3/t6-,7+,11+/m1/s1
InChI Key:
BJFLBFJZUJVICY-BUYFANAVSA-N
SMILES:
ClC(=O)[C@@H]1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
214.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.689g/mol
Monoisotopic Mass:
214.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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