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131862-24-3 | 7-Benzoxazolecarboxylic acid, 2-phenyl-
CAS No: 131862-24-3 Catalog No: AG000ZTW MDL No:
Product Description
Catalog Number:
AG000ZTW
Chemical Name:
7-Benzoxazolecarboxylic acid, 2-phenyl-
CAS Number:
131862-24-3
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
IUPAC Name:
2-phenyl-1,3-benzoxazole-7-carboxylic acid
InChI:
InChI=1S/C14H9NO3/c16-14(17)10-7-4-8-11-12(10)18-13(15-11)9-5-2-1-3-6-9/h1-8H,(H,16,17)
InChI Key:
RZZURKQUMZPYIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1oc(n2)c1ccccc1
Properties
Complexity:
314
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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