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Home > Other Heterocycles > 909229-36-3
909229-36-3 | 2-butyryl-4,6,6-trimethyl-2-azabicyclo[2.2.1]heptane
CAS No: 909229-36-3 Catalog No: AG01EYZZ MDL No:
Product Description
Catalog Number:
AG01EYZZ
Chemical Name:
2-butyryl-4,6,6-trimethyl-2-azabicyclo[2.2.1]heptane
CAS Number:
909229-36-3
Molecular Formula:
C13H23NO
Molecular Weight:
209.3278
IUPAC Name:
1-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butan-1-one
InChI:
InChI=1S/C13H23NO/c1-5-6-11(15)14-9-13(4)7-10(14)12(2,3)8-13/h10H,5-9H2,1-4H3
InChI Key:
APEQZUHJVORQHD-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CC2(CC1C(C2)(C)C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.333g/mol
Monoisotopic Mass:
209.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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