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78213-03-3 | 2(3H)-Benzoxazolone,6-hydroxy-
CAS No: 78213-03-3 Catalog No: AG005NKO MDL No:MFCD07369767
Product Description
Catalog Number:
AG005NKO
Chemical Name:
2(3H)-Benzoxazolone,6-hydroxy-
CAS Number:
78213-03-3
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
MDL Number:
MFCD07369767
IUPAC Name:
6-hydroxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChI Key:
XIYXDPMPFOQCFW-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)[nH]2
NSC Number:
603719
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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