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1121529-18-7

1121529-18-7 | Isoxazole, 3,5-diMethyl-4-(2-thienyl)

CAS No: 1121529-18-7 Catalog No: AG0099DZ MDL No:

Product Description

Catalog Number:
AG0099DZ
Chemical Name:
Isoxazole, 3,5-diMethyl-4-(2-thienyl)
CAS Number:
1121529-18-7
IUPAC Name:
3,5-dimethyl-4-thiophen-2-yl-1,2-oxazole
InChI:
InChI=1S/C9H9NOS/c1-6-9(7(2)11-10-6)8-4-3-5-12-8/h3-5H,1-2H3
InChI Key:
GYZMBLNTDOUHKG-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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