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835594-19-9 | Benzoic acid, 4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-
CAS No: 835594-19-9 Catalog No: AG004ZN0 MDL No:
Product Description
Catalog Number:
AG004ZN0
Chemical Name:
Benzoic acid, 4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-
CAS Number:
835594-19-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
InChI:
InChI=1S/C16H13NO3/c18-16(19)13-8-6-11(7-9-13)14-10-15(20-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)
InChI Key:
ULRUYZKDCOSNMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1=NOC(C1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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