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1260636-72-3 | 2,7-Diazaspiro[3.5]nonane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1260636-72-3 Catalog No: AG000QWV MDL No:
Product Description
Catalog Number:
AG000QWV
Chemical Name:
2,7-Diazaspiro[3.5]nonane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1260636-72-3
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
IUPAC Name:
tert-butyl 2,7-diazaspiro[3.5]nonane-6-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)9-6-12(4-5-14-9)7-13-8-12/h9,13-14H,4-8H2,1-3H3
InChI Key:
WKMPVXUOBMGBDF-UHFFFAOYSA-N
SMILES:
O=C(C1NCCC2(C1)CNC2)OC(C)(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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