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23012-19-3 | Ethanone, 1-(4-methyl-5-oxazolyl)-
CAS No: 23012-19-3 Catalog No: AG002LUU MDL No:MFCD11109866
Product Description
Catalog Number:
AG002LUU
Chemical Name:
Ethanone, 1-(4-methyl-5-oxazolyl)-
CAS Number:
23012-19-3
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD11109866
IUPAC Name:
1-(4-methyl-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C6H7NO2/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3
InChI Key:
BYBRWPKBEPJABL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ocnc1C
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:
0.8
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