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1799438-98-4 | 5-Oxa-2,7-diazaspiro[3.4]octane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS No: 1799438-98-4 Catalog No: AG0021I6 MDL No:MFCD26127286
Product Description
Catalog Number:
AG0021I6
Chemical Name:
5-Oxa-2,7-diazaspiro[3.4]octane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS Number:
1799438-98-4
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
MDL Number:
MFCD26127286
IUPAC Name:
tert-butyl 6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carboxylate
InChI:
InChI=1S/C10H16N2O4/c1-9(2,3)16-8(14)12-5-10(6-12)4-11-7(13)15-10/h4-6H2,1-3H3,(H,11,13)
InChI Key:
MDUVXSNNJOOYHF-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CNC(=O)O2)OC(C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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