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Home > Other Heterocycles > 1695042-94-4
1695042-94-4 | 4-oxa-6-azaspiro[2.4]heptane-5,7-dione
CAS No: 1695042-94-4 Catalog No: AG01BTBA MDL No:MFCD30157615
Product Description
Catalog Number:
AG01BTBA
Chemical Name:
4-oxa-6-azaspiro[2.4]heptane-5,7-dione
CAS Number:
1695042-94-4
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD30157615
IUPAC Name:
4-oxa-6-azaspiro[2.4]heptane-5,7-dione
InChI:
InChI=1S/C5H5NO3/c7-3-5(1-2-5)9-4(8)6-3/h1-2H2,(H,6,7,8)
InChI Key:
YFJACGPGQWSFRE-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(O1)CC2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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