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1272412-72-2 | 1,6-Diazaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1272412-72-2 Catalog No: AG000WSM MDL No:MFCD18782894
Product Description
Catalog Number:
AG000WSM
Chemical Name:
1,6-Diazaspiro[3.3]heptane-6-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1272412-72-2
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD18782894
IUPAC Name:
tert-butyl 1,6-diazaspiro[3.3]heptane-6-carboxylate
InChI:
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-5-11-10/h11H,4-7H2,1-3H3
InChI Key:
WDVOLHDNUMLNAK-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CCN2)OC(C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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