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898758-98-0 | 2-(5-OXOHEXANOYL)OXAZOLE
CAS No: 898758-98-0 Catalog No: AG00GWO9 MDL No:
Product Description
Catalog Number:
AG00GWO9
Chemical Name:
2-(5-OXOHEXANOYL)OXAZOLE
CAS Number:
898758-98-0
IUPAC Name:
1-(1,3-oxazol-2-yl)hexane-1,5-dione
InChI:
InChI=1S/C9H11NO3/c1-7(11)3-2-4-8(12)9-10-5-6-13-9/h5-6H,2-4H2,1H3
InChI Key:
ZBBGCKTXJWBFPH-UHFFFAOYSA-N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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