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62679-06-5 | Isoxazole, 3,5-dimethyl-4-[(methylthio)methyl]- (9CI)
CAS No: 62679-06-5 Catalog No: AG00EZGS MDL No:
Product Description
Catalog Number:
AG00EZGS
Chemical Name:
Isoxazole, 3,5-dimethyl-4-[(methylthio)methyl]- (9CI)
CAS Number:
62679-06-5
IUPAC Name:
3,5-dimethyl-4-(methylsulfanylmethyl)-1,2-oxazole
InChI:
InChI=1S/C7H11NOS/c1-5-7(4-10-3)6(2)9-8-5/h4H2,1-3H3
InChI Key:
ORABKOGQOWLYJY-UHFFFAOYSA-N
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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