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861111-80-0 | 3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-one
CAS No: 861111-80-0 Catalog No: AG01BIBQ MDL No:MFCD01084681
Product Description
Catalog Number:
AG01BIBQ
Chemical Name:
3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-one
CAS Number:
861111-80-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD01084681
IUPAC Name:
3-ethyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
InChI:
InChI=1S/C9H11NO2/c1-2-6-9-7(11)4-3-5-8(9)12-10-6/h2-5H2,1H3
InChI Key:
FRISOZOAKBNWHZ-UHFFFAOYSA-N
SMILES:
CCc1noc2c1C(=O)CCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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