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6497-21-8 | 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE
CAS No: 6497-21-8 Catalog No: AG00EDQQ MDL No:MFCD01935998
Product Description
Catalog Number:
AG00EDQQ
Chemical Name:
1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE
CAS Number:
6497-21-8
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD01935998
IUPAC Name:
1-(5-methyl-1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C6H7NO2/c1-4(8)6-3-7-9-5(6)2/h3H,1-2H3
InChI Key:
MPBLCMAVTWOWNH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnoc1C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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