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29068-23-3 | 3-(1-METHYLETHYL)-5(4H)-ISOXAZOLONE
CAS No: 29068-23-3 Catalog No: AG01DWB3 MDL No:MFCD18909445
Product Description
Catalog Number:
AG01DWB3
Chemical Name:
3-(1-METHYLETHYL)-5(4H)-ISOXAZOLONE
CAS Number:
29068-23-3
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD18909445
IUPAC Name:
3-propan-2-yl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C6H9NO2/c1-4(2)5-3-6(8)9-7-5/h4H,3H2,1-2H3
InChI Key:
HFEOSWXTUREPBP-UHFFFAOYSA-N
SMILES:
CC(C1=NOC(=O)C1)C
Properties
Complexity:
160
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:
1.1
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