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19788-38-6 | 4-(3,5-Dimethyl-4-isoxazolyl)-2-butanone
CAS No: 19788-38-6 Catalog No: AG00B030 MDL No:
Product Description
Catalog Number:
AG00B030
Chemical Name:
4-(3,5-Dimethyl-4-isoxazolyl)-2-butanone
CAS Number:
19788-38-6
IUPAC Name:
4-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
InChI:
InChI=1S/C9H13NO2/c1-6(11)4-5-9-7(2)10-12-8(9)3/h4-5H2,1-3H3
InChI Key:
TVVQTAUXLCCPNA-UHFFFAOYSA-N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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