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75601-30-8 | Isoxazole,5-(2-furanyl)-3,4-dimethyl-
CAS No: 75601-30-8 Catalog No: AG005WFP MDL No:
Product Description
Catalog Number:
AG005WFP
Chemical Name:
Isoxazole,5-(2-furanyl)-3,4-dimethyl-
CAS Number:
75601-30-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
5-(furan-2-yl)-3,4-dimethyl-1,2-oxazole
InChI:
InChI=1S/C9H9NO2/c1-6-7(2)10-12-9(6)8-4-3-5-11-8/h3-5H,1-2H3
InChI Key:
QOFLVWUIJSUONB-UHFFFAOYSA-N
SMILES:
Cc1noc(c1C)c1ccco1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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