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13626-60-3

13626-60-3 | 3-Hydroxyisoxazole-5-carboxylic acid

CAS No: 13626-60-3 Catalog No: AG00384W MDL No:MFCD08669892

Product Description

Catalog Number:
AG00384W
Chemical Name:
3-Hydroxyisoxazole-5-carboxylic acid
CAS Number:
13626-60-3
Molecular Formula:
C4H3NO4
Molecular Weight:
129.0709
MDL Number:
MFCD08669892
IUPAC Name:
3-oxo-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C4H3NO4/c6-3-1-2(4(7)8)9-5-3/h1H,(H,5,6)(H,7,8)
InChI Key:
VOCWBIGTEMMVGZ-UHFFFAOYSA-N
SMILES:
Oc1noc(c1)C(=O)O

Properties

Complexity:
195  
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:
4  
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:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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