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123319-30-2 | 1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 2-methyl-3-oxo-, ethyl ester
CAS No: 123319-30-2 Catalog No: AG000KCG MDL No:
Product Description
Catalog Number:
AG000KCG
Chemical Name:
1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 2-methyl-3-oxo-, ethyl ester
CAS Number:
123319-30-2
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
IUPAC Name:
ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9H,3-8H2,1-2H3
InChI Key:
MJSGPUXKCNLSHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC2(CC1)CC(=O)C(O2)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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