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89073-63-2 | Butanediamide, 2-(acetyloxy)-
CAS No: 89073-63-2 Catalog No: AG0040AH MDL No:
Product Description
Catalog Number:
AG0040AH
Chemical Name:
Butanediamide, 2-(acetyloxy)-
CAS Number:
89073-63-2
Molecular Formula:
C6H10N2O4
Molecular Weight:
174.1546
IUPAC Name:
(1,4-diamino-1,4-dioxobutan-2-yl) acetate
InChI:
InChI=1S/C6H10N2O4/c1-3(9)12-4(6(8)11)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H2,8,11)
InChI Key:
RKTYTPVGYPZVJH-UHFFFAOYSA-N
SMILES:
NC(=O)CC(C(=O)N)OC(=O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.156g/mol
Monoisotopic Mass:
174.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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