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1245816-31-2 | 2-Oxa-6-azaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1245816-31-2 Catalog No: AG000MEX MDL No:MFCD18325160
Product Description
Catalog Number:
AG000MEX
Chemical Name:
2-Oxa-6-azaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1245816-31-2
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD18325160
IUPAC Name:
tert-butyl 2-oxa-7-azaspiro[3.4]octane-7-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-5-4-11(6-12)7-14-8-11/h4-8H2,1-3H3
InChI Key:
ACMASIMZBDTNIZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)COC2)OC(C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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