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28955-70-6 | 2(3H)-Benzoxazolone, 4-hydroxy-
CAS No: 28955-70-6 Catalog No: AG002UZL MDL No:MFCD18450461
Product Description
Catalog Number:
AG002UZL
Chemical Name:
2(3H)-Benzoxazolone, 4-hydroxy-
CAS Number:
28955-70-6
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
MDL Number:
MFCD18450461
IUPAC Name:
4-hydroxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H5NO3/c9-4-2-1-3-5-6(4)8-7(10)11-5/h1-3,9H,(H,8,10)
InChI Key:
SXQYJGZBZLNTLH-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)c(O)ccc2
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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