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819071-06-2 | 7-Benzoxazolecarboxylic acid, 2-(2-hydroxyphenyl)-, methyl ester
CAS No: 819071-06-2 Catalog No: AG00566Q MDL No:
Product Description
Catalog Number:
AG00566Q
Chemical Name:
7-Benzoxazolecarboxylic acid, 2-(2-hydroxyphenyl)-, methyl ester
CAS Number:
819071-06-2
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
IUPAC Name:
methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate
InChI:
InChI=1S/C15H11NO4/c1-19-15(18)10-6-4-7-11-13(10)20-14(16-11)9-5-2-3-8-12(9)17/h2-8,17H,1H3
InChI Key:
MPGCBKITOBODHY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1oc(n2)c1ccccc1O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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