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1375064-71-3 | 3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-
CAS No: 1375064-71-3 Catalog No: AG0013EO MDL No:MFCD22192330
Product Description
Catalog Number:
AG0013EO
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-
CAS Number:
1375064-71-3
Molecular Formula:
C11H7NO5
Molecular Weight:
233.1770
MDL Number:
MFCD22192330
IUPAC Name:
5-(4-carboxyphenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H7NO5/c13-10(14)7-3-1-6(2-4-7)9-5-8(11(15)16)12-17-9/h1-5H,(H,13,14)(H,15,16)
InChI Key:
FUWUAFDSPMHYPU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1onc(c1)C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.179g/mol
Monoisotopic Mass:
233.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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