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88575-38-6 | Benzoic acid, 4-(2-benzoxazolyl)-, 2-hydroxyethyl ester
CAS No: 88575-38-6 Catalog No: AG004DLV MDL No:
Product Description
Catalog Number:
AG004DLV
Chemical Name:
Benzoic acid, 4-(2-benzoxazolyl)-, 2-hydroxyethyl ester
CAS Number:
88575-38-6
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
2-hydroxyethyl 4-(1,3-benzoxazol-2-yl)benzoate
InChI:
InChI=1S/C16H13NO4/c18-9-10-20-16(19)12-7-5-11(6-8-12)15-17-13-3-1-2-4-14(13)21-15/h1-8,18H,9-10H2
InChI Key:
OQWRAAAYBQYTLY-UHFFFAOYSA-N
SMILES:
OCCOC(=O)c1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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