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77311-06-9 | Oxazole, 5-butyl-
CAS No: 77311-06-9 Catalog No: AG0054Q3 MDL No:
Product Description
Catalog Number:
AG0054Q3
Chemical Name:
Oxazole, 5-butyl-
CAS Number:
77311-06-9
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
5-butyl-1,3-oxazole
InChI:
InChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3
InChI Key:
HVDQDMRCRULNJN-UHFFFAOYSA-N
SMILES:
CCCCc1cnco1
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| The novel vitamin D analog ZK191784 as an intestine-specific vitamin D antagonist. | FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20061001 |
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