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10158-72-2,MFCD00968532
Catalog No.:AA0004S3
10158-72-2 | 1(2H)-Pyridazineacetic acid, 3,6-dihydro-3,6-dioxo-
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1g
95%
in stock  
$62.00
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5g
95%
in stock  
$158.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004S3
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
Computed 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  

Synonyms
 
10158-72-2 
2-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)acetic acid 
AC1Q75X4 
SCHEMBL11248494 
CTK7J5111 
XVSCOGMAPCVMSV-UHFFFAOYSA-N 
ZINC1848213 
BBL029094 
MFCD00968532 
NSC-22856 
SBB016548 
STK634286 
(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetic acid 
STK802274 
AKOS000122988 
AKOS000300102 
MCULE-5062077100 
AJ-63850 
TR-055586 
(3-hydroxy-6-oxopyridazin-1-yl)acetic acid 
FT-0694278 
ST24039258 
ST50329600 
(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-acetic acid 
EN300-11202 
W-7724 
(3-hydroxy-6-oxopyridazin-1(6H)-yl)acetic acid 
J-501112 
(3,6-Dioxo-3,6-dihydro-1(2H)-pyridazinyl)acetic acid 
1(2H)-Pyridazineacetic acid, 3,6-dihydro-3,6-dioxo- 
F3284-8019 
(3,6-Dioxo-3,6-dihydro-2H-pyridazin-1-yl)-acetic acid 
(3,6-DIOXO-3,6-DIHYDROPYRIDAZIN-1(2H)-YL)ACETICACID 
2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid 
2-(3,6-dioxo-1,2-dihydropyridazinyl)acetic acid 
KST-1A9813 
AR-1B2514 
CID229302 
1096-03-3 
1(6h)-pyridazineacetic acid, 3-hydroxy-6-oxo- 
NSC22856 
AC1Q5WKW 
2-(3,6-dioxo-1H-pyridazin-2-yl)acetic acid 
AC1L5H0A 
Literature
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