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4510-76-3 | 2,4-DIHYDROXYQUINOLINE MONOSODIUM SALT
CAS No: 4510-76-3 Catalog No: AG003FTD MDL No:
Product Description
Catalog Number:
AG003FTD
Chemical Name:
2,4-DIHYDROXYQUINOLINE MONOSODIUM SALT
CAS Number:
4510-76-3
Molecular Formula:
C9H6NNaO2
Molecular Weight:
183.1392
IUPAC Name:
sodium;2-oxo-1H-quinolin-4-olate
InChI:
InChI=1S/C9H7NO2.Na/c11-8-5-9(12)10-7-4-2-1-3-6(7)8;/h1-5H,(H2,10,11,12);/q;+1/p-1
InChI Key:
MWXMDMIYCCSYNP-UHFFFAOYSA-M
SMILES:
Oc1cc([O-])c2c(n1)cccc2.[Na+]
EC Number:
224-828-9
UNII:
ZNV1B8UXF7
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.142g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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