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13895-04-0 | 6-methoxybenzo[d]oxazole-2(3H)-thione
CAS No: 13895-04-0 Catalog No: AG00A0GM MDL No:
Product Description
Catalog Number:
AG00A0GM
Chemical Name:
6-methoxybenzo[d]oxazole-2(3H)-thione
CAS Number:
13895-04-0
IUPAC Name:
6-methoxy-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C8H7NO2S/c1-10-5-2-3-6-7(4-5)11-8(12)9-6/h2-4H,1H3,(H,9,12)
InChI Key:
ZEIPATHNNKGIFH-UHFFFAOYSA-N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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