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178316-77-3 | 3-Isoxazolecarboxylic acid, 4-hydroxy-
CAS No: 178316-77-3 Catalog No: AG0025Y2 MDL No:
Product Description
Catalog Number:
AG0025Y2
Chemical Name:
3-Isoxazolecarboxylic acid, 4-hydroxy-
CAS Number:
178316-77-3
Molecular Formula:
C4H3NO4
Molecular Weight:
129.0709
IUPAC Name:
4-hydroxy-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C4H3NO4/c6-2-1-9-5-3(2)4(7)8/h1,6H,(H,7,8)
InChI Key:
CGLGFQXJBUOAAP-UHFFFAOYSA-N
SMILES:
OC(=O)c1nocc1O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.071g/mol
Monoisotopic Mass:
129.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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