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116178-22-4 | 3-Oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one, 4-methyl-
CAS No: 116178-22-4 Catalog No: AG000BTO MDL No:
Product Description
Catalog Number:
AG000BTO
Chemical Name:
3-Oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one, 4-methyl-
CAS Number:
116178-22-4
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
4-methyl-3-oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one
InChI:
InChI=1S/C6H7NO2/c1-6-3-2(4(6)9-6)5(8)7-3/h2-4H,1H3,(H,7,8)
InChI Key:
MOUBLJSFZBFTKP-UHFFFAOYSA-N
SMILES:
O=C1NC2C1C1C2(O1)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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