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Home > Other Heterocycles > 1427319-44-5
1427319-44-5 | 3-AZABICYCLO[3.1.1]HEPTAN-2-ONE
CAS No: 1427319-44-5 Catalog No: AG01ELQC MDL No:MFCD27991731
Product Description
Catalog Number:
AG01ELQC
Chemical Name:
3-AZABICYCLO[3.1.1]HEPTAN-2-ONE
CAS Number:
1427319-44-5
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD27991731
IUPAC Name:
3-azabicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C6H9NO/c8-6-5-1-4(2-5)3-7-6/h4-5H,1-3H2,(H,7,8)
InChI Key:
GVCMHUXWDUDOFA-UHFFFAOYSA-N
SMILES:
O=C1NCC2CC1C2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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