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Home > Other Heterocycles > 49831-30-3
49831-30-3 | 8-Oxa-6-azabicyclo[3.2.1]octan-7-one, 6-acetyl-
CAS No: 49831-30-3 Catalog No: AG006XX4 MDL No:
Product Description
Catalog Number:
AG006XX4
Chemical Name:
8-Oxa-6-azabicyclo[3.2.1]octan-7-one, 6-acetyl-
CAS Number:
49831-30-3
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
6-acetyl-8-oxa-6-azabicyclo[3.2.1]octan-7-one
InChI:
InChI=1S/C8H11NO3/c1-5(10)9-7-4-2-3-6(12-7)8(9)11/h6-7H,2-4H2,1H3
InChI Key:
LFISJNHRAXJZJP-UHFFFAOYSA-N
SMILES:
CC(=O)N1C2CCCC(C1=O)O2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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