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1227382-01-5 | 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS No: 1227382-01-5 Catalog No: AG000J8A MDL No:MFCD12404932
Product Description
Catalog Number:
AG000J8A
Chemical Name:
2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS Number:
1227382-01-5
Molecular Formula:
C12H20N2O6
Molecular Weight:
288.2970
MDL Number:
MFCD12404932
IUPAC Name:
tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid
InChI:
InChI=1S/C10H18N2O2.C2H2O4/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
UMRJVCJJEKXMNB-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.3g/mol
Monoisotopic Mass:
288.132g/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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