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88313-24-0

88313-24-0 | Butanamide, 3,3-dimethyl-2,4-bis(nitrooxy)-N-[3-(nitrooxy)propyl]-, (R)-

CAS No: 88313-24-0 Catalog No: AG0048P4 MDL No:

Product Description

Catalog Number:
AG0048P4
Chemical Name:
Butanamide, 3,3-dimethyl-2,4-bis(nitrooxy)-N-[3-(nitrooxy)propyl]-, (R)-
CAS Number:
88313-24-0
Molecular Formula:
C9H16N4O10
Molecular Weight:
340.2441
IUPAC Name:
3-[[(2R)-3,3-dimethyl-2,4-dinitrooxybutanoyl]amino]propyl nitrate
InChI:
InChI=1S/C9H16N4O10/c1-9(2,6-22-12(17)18)7(23-13(19)20)8(14)10-4-3-5-21-11(15)16/h7H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
InChI Key:
RTHOJZTUNDLPCM-ZETCQYMHSA-N
SMILES:
[O-][N+](=O)OCCCNC(=O)[C@@H](C(CO[N+](=O)[O-])(C)C)O[N+](=O)[O-]

Properties

Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
340.087g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
340.245g/mol
Monoisotopic Mass:
340.087g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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