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20000-54-8 | Benzoic acid, 4-(2-benzoxazolyl)-
CAS No: 20000-54-8 Catalog No: AG002CHY MDL No:
Product Description
Catalog Number:
AG002CHY
Chemical Name:
Benzoic acid, 4-(2-benzoxazolyl)-
CAS Number:
20000-54-8
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
IUPAC Name:
4-(1,3-benzoxazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H9NO3/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8H,(H,16,17)
InChI Key:
NUEZYYBQCMBQOY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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