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876508-60-0 | 4-Pyrazolidineaceticacid, 3,5-dioxo-
CAS No: 876508-60-0 Catalog No: AG004OEC MDL No:
Product Description
Catalog Number:
AG004OEC
Chemical Name:
4-Pyrazolidineaceticacid, 3,5-dioxo-
CAS Number:
876508-60-0
Molecular Formula:
C5H6N2O4
Molecular Weight:
158.1121
IUPAC Name:
2-(3,5-dioxopyrazolidin-4-yl)acetic acid
InChI:
InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)6-7-5(2)11/h2H,1H2,(H,6,10)(H,7,11)(H,8,9)
InChI Key:
KANKKERZAPYZRY-UHFFFAOYSA-N
SMILES:
OC(=O)CC1C(=O)NNC1=O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.113g/mol
Monoisotopic Mass:
158.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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