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1408074-46-3 | 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1408074-46-3 Catalog No: AG001CTF MDL No:MFCD23105990
Product Description
Catalog Number:
AG001CTF
Chemical Name:
5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1408074-46-3
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD23105990
IUPAC Name:
tert-butyl 7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
InChI:
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-6-11(7-12)4-8(13)5-15-11/h8,13H,4-7H2,1-3H3
InChI Key:
PWCXTAYTSYDZTN-UHFFFAOYSA-N
SMILES:
OC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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