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898758-30-0 | 2-HEXANOYLOXAZOLE
CAS No: 898758-30-0 Catalog No: AG006OED MDL No:
Product Description
Catalog Number:
AG006OED
Chemical Name:
2-HEXANOYLOXAZOLE
CAS Number:
898758-30-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1-(1,3-oxazol-2-yl)hexan-1-one
InChI:
InChI=1S/C9H13NO2/c1-2-3-4-5-8(11)9-10-6-7-12-9/h6-7H,2-5H2,1H3
InChI Key:
CDURLTQSHCMKHK-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1ncco1
Properties
Complexity:
148
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:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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