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207291-72-3 | ETHYL 5-HYDROXY-3-METHYL-4-ISOXAZOLE-CAR BOXYLATE, SODIUM SALT H2O, 97%
CAS No: 207291-72-3 Catalog No: AG00BH3D MDL No:
Product Description
Catalog Number:
AG00BH3D
Chemical Name:
ETHYL 5-HYDROXY-3-METHYL-4-ISOXAZOLE-CAR BOXYLATE, SODIUM SALT H2O, 97%
CAS Number:
207291-72-3
IUPAC Name:
sodium;4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-olate;hydrate
InChI:
InChI=1S/C7H9NO4.Na.H2O/c1-3-11-6(9)5-4(2)8-12-7(5)10;;/h10H,3H2,1-2H3;;1H2/q;+1;/p-1
InChI Key:
FUQGYGTVHBHPSD-UHFFFAOYSA-M
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.149g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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