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77219-16-0 | Ethanone,1-(4,5-dihydro-2-methyl-5-oxazolyl)-
CAS No: 77219-16-0 Catalog No: AG005D5H MDL No:MFCD24704256
Product Description
Catalog Number:
AG005D5H
Chemical Name:
Ethanone,1-(4,5-dihydro-2-methyl-5-oxazolyl)-
CAS Number:
77219-16-0
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD24704256
IUPAC Name:
1-(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C6H9NO2/c1-4(8)6-3-7-5(2)9-6/h6H,3H2,1-2H3
InChI Key:
SRHXEKXXIXPQSY-UHFFFAOYSA-N
SMILES:
CC(=O)C1CN=C(O1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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