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1441673-92-2

1441673-92-2 | 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-

CAS No: 1441673-92-2 Catalog No: AG001J10 MDL No:MFCD28385907

Product Description

Catalog Number:
AG001J10
Chemical Name:
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-
CAS Number:
1441673-92-2
Molecular Formula:
C12H19KNO4
Molecular Weight:
280.3819
MDL Number:
MFCD28385907
IUPAC Name:
potassium;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylate
InChI:
InChI=1S/C12H19NO4.K/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15;/h8H,4-7H2,1-3H3,(H,14,15);/q;+1/p-1/t8-;/m0./s1
InChI Key:
GEBJJTWUKLHQEH-QRPNPIFTSA-M
SMILES:
O=C(N1CC2(C[C@H]1C(=O)O)CC2)OC(C)(C)C.[K]
EC Number:
805-612-9

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
279.087g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.377g/mol
Monoisotopic Mass:
279.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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