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10158-72-2 | 1(2H)-Pyridazineacetic acid, 3,6-dihydro-3,6-dioxo-
CAS No: 10158-72-2 Catalog No: AG0004UV MDL No:MFCD00968532
Product Description
Catalog Number:
AG0004UV
Chemical Name:
1(2H)-Pyridazineacetic acid, 3,6-dihydro-3,6-dioxo-
CAS Number:
10158-72-2
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD00968532
IUPAC Name:
2-(3,6-dioxo-1H-pyridazin-2-yl)acetic acid
InChI:
InChI=1S/C6H6N2O4/c9-4-1-2-5(10)8(7-4)3-6(11)12/h1-2H,3H2,(H,7,9)(H,11,12)
InChI Key:
XVSCOGMAPCVMSV-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1[nH]c(=O)ccc1=O
NSC Number:
22856
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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