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2060039-65-6 | 6-ethyl-1,2-benzoxazol-3-ol
CAS No: 2060039-65-6 Catalog No: AG01BW5H MDL No:MFCD30476799
Product Description
Catalog Number:
AG01BW5H
Chemical Name:
6-ethyl-1,2-benzoxazol-3-ol
CAS Number:
2060039-65-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD30476799
IUPAC Name:
6-ethyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H9NO2/c1-2-6-3-4-7-8(5-6)12-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
HZDIJCKOKBDKQN-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)onc2O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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