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439608-30-7 | 2-Methylthio-5-methylbenzoxazole
CAS No: 439608-30-7 Catalog No: AG00DE21 MDL No:
Product Description
Catalog Number:
AG00DE21
Chemical Name:
2-Methylthio-5-methylbenzoxazole
CAS Number:
439608-30-7
IUPAC Name:
5-methyl-2-methylsulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C9H9NOS/c1-6-3-4-8-7(5-6)10-9(11-8)12-2/h3-5H,1-2H3
InChI Key:
ZTFNBYIVUMSVKZ-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:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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