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1160246-86-5 | 2-Oxa-8-azaspiro[4.5]decane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester
CAS No: 1160246-86-5 Catalog No: AG000BEE MDL No:MFCD12198524
Product Description
Catalog Number:
AG000BEE
Chemical Name:
2-Oxa-8-azaspiro[4.5]decane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester
CAS Number:
1160246-86-5
Molecular Formula:
C14H22NO5-
Molecular Weight:
284.3282
MDL Number:
MFCD12198524
IUPAC Name:
8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
InChI:
InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-6-4-14(5-7-15)8-10(11(16)17)19-9-14/h10H,4-9H2,1-3H3,(H,16,17)
InChI Key:
LYLRTOVRNNYTRC-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1OCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.34g/mol
Monoisotopic Mass:
285.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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