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820252-95-7 | 7-Benzoxazolecarboxylic acid, 2-[2-(phenylmethoxy)phenyl]-
CAS No: 820252-95-7 Catalog No: AG004XJ1 MDL No:
Product Description
Catalog Number:
AG004XJ1
Chemical Name:
7-Benzoxazolecarboxylic acid, 2-[2-(phenylmethoxy)phenyl]-
CAS Number:
820252-95-7
Molecular Formula:
C21H15NO4
Molecular Weight:
345.3481
IUPAC Name:
2-(2-phenylmethoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
InChI:
InChI=1S/C21H15NO4/c23-21(24)16-10-6-11-17-19(16)26-20(22-17)15-9-4-5-12-18(15)25-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,23,24)
InChI Key:
XGKSONWAJDGGMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1oc(n2)c1ccccc1OCc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.354g/mol
Monoisotopic Mass:
345.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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