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93771-18-7 | 6-Ethyl-2-benzoxazolinone
CAS No: 93771-18-7 Catalog No: AG00612I MDL No:
Product Description
Catalog Number:
AG00612I
Chemical Name:
6-Ethyl-2-benzoxazolinone
CAS Number:
93771-18-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
6-ethyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
BQIHAYHNMVVRAN-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)oc(=O)[nH]2
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:
2
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