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107403-12-3 | 3(2H)-Isoxazolone, 5-(1,1-dimethylethyl)-
CAS No: 107403-12-3 Catalog No: AG01DX81 MDL No:
Product Description
Catalog Number:
AG01DX81
Chemical Name:
3(2H)-Isoxazolone, 5-(1,1-dimethylethyl)-
CAS Number:
107403-12-3
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
5-tert-butyl-1,2-oxazol-3-one
InChI:
InChI=1S/C7H11NO2/c1-7(2,3)5-4-6(9)8-10-5/h4H,1-3H3,(H,8,9)
InChI Key:
NZLCEIYRRDWTEV-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1)O)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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