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898759-18-7 | 2-(3,3-DIMETHYLBUTYRYL)OXAZOLE
CAS No: 898759-18-7 Catalog No: AG00GWU9 MDL No:
Product Description
Catalog Number:
AG00GWU9
Chemical Name:
2-(3,3-DIMETHYLBUTYRYL)OXAZOLE
CAS Number:
898759-18-7
IUPAC Name:
3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-one
InChI:
InChI=1S/C9H13NO2/c1-9(2,3)6-7(11)8-10-4-5-12-8/h4-5H,6H2,1-3H3
InChI Key:
LJIPEBTUFPMBKT-UHFFFAOYSA-N
Properties
Complexity:
172
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:
2
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