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1239319-91-5 | 6-Azaspiro[3.4]octane-6-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1239319-91-5 Catalog No: AG000L8E MDL No:MFCD18073249
Product Description
Catalog Number:
AG000L8E
Chemical Name:
6-Azaspiro[3.4]octane-6-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1239319-91-5
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD18073249
IUPAC Name:
tert-butyl 2-hydroxy-6-azaspiro[3.4]octane-6-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(14)7-12/h9,14H,4-8H2,1-3H3
InChI Key:
KAVBYCOMZDNOFX-UHFFFAOYSA-N
SMILES:
OC1CC2(C1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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