Home Carboxys 9-oxo-2-oxa-8-azaspiro[4.5]decane-6-carboxylic acid

9-oxo-2-oxa-8-azaspiro[4.5]decane-6-carboxylic acid

CAS No.:
2098032-40-5
Catalog Number:
AG01EL1P
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
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Product Description
Catalog Number:
AG01EL1P
Chemical Name:
9-oxo-2-oxa-8-azaspiro[4.5]decane-6-carboxylic acid
CAS Number:
2098032-40-5
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
MDL Number:
MFCD30494965
IUPAC Name:
9-oxo-2-oxa-8-azaspiro[4.5]decane-6-carboxylic acid
InChI:
InChI=1S/C9H13NO4/c11-7-3-9(1-2-14-5-9)6(4-10-7)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)
InChI Key:
DHHFGQBOAKYHLZ-UHFFFAOYSA-N
SMILES:
O=C1NCC(C2(C1)COCC2)C(=O)O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties