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2059926-74-6

2059926-74-6 | 4-ethyl-1,2-benzoxazol-3-ol

CAS No: 2059926-74-6 Catalog No: AG01BW5J MDL No:MFCD30476801

Product Description

Catalog Number:
AG01BW5J
Chemical Name:
4-ethyl-1,2-benzoxazol-3-ol
CAS Number:
2059926-74-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD30476801
IUPAC Name:
4-ethyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)9(11)10-12-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
SMEFYTIZTMNNMA-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1c(O)no2

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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