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Home > Other Heterocycles > 28945-63-3
28945-63-3 | Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(1-piperidinylmethylene)-
CAS No: 28945-63-3 Catalog No: AG002X4Y MDL No:
Product Description
Catalog Number:
AG002X4Y
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(1-piperidinylmethylene)-
CAS Number:
28945-63-3
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
1,7,7-trimethyl-3-(piperidin-1-ylmethylidene)bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C16H25NO/c1-15(2)13-7-8-16(15,3)14(18)12(13)11-17-9-5-4-6-10-17/h11,13H,4-10H2,1-3H3
InChI Key:
CEZIPIPZKBOEKO-UHFFFAOYSA-N
SMILES:
O=C1C(=CN2CCCCC2)C2C(C1(C)CC2)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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