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56421-65-9 | 3,4-Dimethyl-5-(2-thienyl)isoxazole
CAS No: 56421-65-9 Catalog No: AG00EUQN MDL No:
Product Description
Catalog Number:
AG00EUQN
Chemical Name:
3,4-Dimethyl-5-(2-thienyl)isoxazole
CAS Number:
56421-65-9
IUPAC Name:
3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole
InChI:
InChI=1S/C9H9NOS/c1-6-7(2)10-11-9(6)8-4-3-5-12-8/h3-5H,1-2H3
InChI Key:
LGUFOHIGWDGSRM-UHFFFAOYSA-N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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