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14628-46-7 | 3,6-Pyridazinedione, 1,2-dihydro-1-(hydroxymethyl)-
CAS No: 14628-46-7 Catalog No: AG001DU5 MDL No:
Product Description
Catalog Number:
AG001DU5
Chemical Name:
3,6-Pyridazinedione, 1,2-dihydro-1-(hydroxymethyl)-
CAS Number:
14628-46-7
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
IUPAC Name:
2-(hydroxymethyl)-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C5H6N2O3/c8-3-7-5(10)2-1-4(9)6-7/h1-2,8H,3H2,(H,6,9)
InChI Key:
VICDFJLHZGCTDV-UHFFFAOYSA-N
SMILES:
OCn1[nH]c(=O)ccc1=O
UNII:
0X8Z265YO3
NSC Number:
29232
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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