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1426232-07-6 | 4-(Isoxazol-3-yl)benzoic acid
CAS No: 1426232-07-6 Catalog No: AG01EDJF MDL No:
Product Description
Catalog Number:
AG01EDJF
Chemical Name:
4-(Isoxazol-3-yl)benzoic acid
CAS Number:
1426232-07-6
IUPAC Name:
4-(1,2-oxazol-3-yl)benzoic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-6-14-11-9/h1-6H,(H,12,13)
InChI Key:
FLVBDHVMFLJROU-UHFFFAOYSA-N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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