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126077-91-6 | 2H-1,5-Oxazecine-2-carboxamide, 7-[(3-amino-3-oxopropyl)hydroxyamino]octahydro-6,10-dioxo- (9CI)
CAS No: 126077-91-6 Catalog No: AG000R6X MDL No:
Product Description
Catalog Number:
AG000R6X
Chemical Name:
2H-1,5-Oxazecine-2-carboxamide, 7-[(3-amino-3-oxopropyl)hydroxyamino]octahydro-6,10-dioxo- (9CI)
CAS Number:
126077-91-6
Molecular Formula:
C12H20N4O6
Molecular Weight:
316.3104
IUPAC Name:
7-[(3-amino-3-oxopropyl)-hydroxyamino]-6,10-dioxo-1,5-oxazecane-2-carboxamide
InChI:
InChI=1S/C12H20N4O6/c13-9(17)4-6-16(21)7-1-2-10(18)22-8(11(14)19)3-5-15-12(7)20/h7-8,21H,1-6H2,(H2,13,17)(H2,14,19)(H,15,20)
InChI Key:
CKLKAIFISQKFTE-UHFFFAOYSA-N
SMILES:
NC(=O)CCN(C1CCC(=O)OC(CCNC1=O)C(=O)N)O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.314g/mol
Monoisotopic Mass:
316.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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