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861841-91-0 | 2(3H)-Benzoxazolone, 7-(ethoxyhydroxyacetyl)-5-(phenylmethoxy)-
CAS No: 861841-91-0 Catalog No: AG008F5M MDL No:
Product Description
Catalog Number:
AG008F5M
Chemical Name:
2(3H)-Benzoxazolone, 7-(ethoxyhydroxyacetyl)-5-(phenylmethoxy)-
CAS Number:
861841-91-0
Molecular Formula:
C18H17NO6
Molecular Weight:
343.3307
IUPAC Name:
7-(2-ethoxy-2-hydroxyacetyl)-5-phenylmethoxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C18H17NO6/c1-2-23-17(21)15(20)13-8-12(9-14-16(13)25-18(22)19-14)24-10-11-6-4-3-5-7-11/h3-9,17,21H,2,10H2,1H3,(H,19,22)
InChI Key:
DXNDPNBSTPJBGN-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)c1cc(OCc2ccccc2)cc2c1oc(=O)[nH]2)O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.335g/mol
Monoisotopic Mass:
343.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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