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34173-03-0 | 2-(5-HYDROXYBENZO[D]ISOXAZOL-3-YL)ACETIC ACID
CAS No: 34173-03-0 Catalog No: AG003EY1 MDL No:MFCD20639829
Product Description
Catalog Number:
AG003EY1
Chemical Name:
2-(5-HYDROXYBENZO[D]ISOXAZOL-3-YL)ACETIC ACID
CAS Number:
34173-03-0
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD20639829
IUPAC Name:
2-(5-hydroxy-1,2-benzoxazol-3-yl)acetic acid
InChI:
InChI=1S/C9H7NO4/c11-5-1-2-8-6(3-5)7(10-14-8)4-9(12)13/h1-3,11H,4H2,(H,12,13)
InChI Key:
HBALLWSUQCOFSN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1noc2c1cc(O)cc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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