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112499-96-4 | Thieno[2,3-d]oxazole, 2-methyl-
CAS No: 112499-96-4 Catalog No: AG0082E0 MDL No:
Product Description
Catalog Number:
AG0082E0
Chemical Name:
Thieno[2,3-d]oxazole, 2-methyl-
CAS Number:
112499-96-4
Molecular Formula:
C6H5NOS
Molecular Weight:
139.1750
IUPAC Name:
2-methylthieno[2,3-d][1,3]oxazole
InChI:
InChI=1S/C6H5NOS/c1-4-7-6-5(8-4)2-3-9-6/h2-3H,1H3
InChI Key:
WYFJWNALUQRFTQ-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)scc2
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.172g/mol
Monoisotopic Mass:
139.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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