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192439-68-2 | 3(2H)-Isoxazolone,5-(3-methylbutyl)-(9CI)
CAS No: 192439-68-2 Catalog No: AG00BB8W MDL No:
Product Description
Catalog Number:
AG00BB8W
Chemical Name:
3(2H)-Isoxazolone,5-(3-methylbutyl)-(9CI)
CAS Number:
192439-68-2
IUPAC Name:
5-(3-methylbutyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C8H13NO2/c1-6(2)3-4-7-5-8(10)9-11-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChI Key:
HXVJQVLSGXGIGU-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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