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889939-04-2 | Ethanone,1-[3-(3-pyridinyl)-5-isoxazolyl]-
CAS No: 889939-04-2 Catalog No: AG00466R MDL No:
Product Description
Catalog Number:
AG00466R
Chemical Name:
Ethanone,1-[3-(3-pyridinyl)-5-isoxazolyl]-
CAS Number:
889939-04-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone
InChI:
InChI=1S/C10H8N2O2/c1-7(13)10-5-9(12-14-10)8-3-2-4-11-6-8/h2-6H,1H3
InChI Key:
KDWLANIMFVYTQF-UHFFFAOYSA-N
SMILES:
CC(=O)c1onc(c1)c1cccnc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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