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1180112-42-8 | 1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS No: 1180112-42-8 Catalog No: AG000IBF MDL No:MFCD13185087
Product Description
Catalog Number:
AG000IBF
Chemical Name:
1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS Number:
1180112-42-8
Molecular Formula:
C14H24N2O6
Molecular Weight:
316.3502
MDL Number:
MFCD13185087
IUPAC Name:
tert-butyl 1,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
InChI:
InChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-8-5-12(6-9-14)4-7-13-12;3-1(4)2(5)6/h13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
HLBLCLWSYNFUSK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCN2)OC(C)(C)C.OC(=O)C(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.354g/mol
Monoisotopic Mass:
316.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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