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898758-33-3 | 2-HEPTANOYLOXAZOLE
CAS No: 898758-33-3 Catalog No: AG00GXWI MDL No:
Product Description
Catalog Number:
AG00GXWI
Chemical Name:
2-HEPTANOYLOXAZOLE
CAS Number:
898758-33-3
IUPAC Name:
1-(1,3-oxazol-2-yl)heptan-1-one
InChI:
InChI=1S/C10H15NO2/c1-2-3-4-5-6-9(12)10-11-7-8-13-10/h7-8H,2-6H2,1H3
InChI Key:
HOONPSQWBIMKBQ-UHFFFAOYSA-N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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