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75290-76-5 | Ethanone,1-(1,2-benzisoxazol-3-yl)-
CAS No: 75290-76-5 Catalog No: AG008QL6 MDL No:
Product Description
Catalog Number:
AG008QL6
Chemical Name:
Ethanone,1-(1,2-benzisoxazol-3-yl)-
CAS Number:
75290-76-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
1-(1,2-benzoxazol-3-yl)ethanone
InChI:
InChI=1S/C9H7NO2/c1-6(11)9-7-4-2-3-5-8(7)12-10-9/h2-5H,1H3
InChI Key:
CWYBQMWNAJFPNS-UHFFFAOYSA-N
SMILES:
CC(=O)c1noc2c1cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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