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102363-66-6 | 1,4-Benzoxathiin, 2,3-dihydro-6-methyl-
CAS No: 102363-66-6 Catalog No: AG00079S MDL No:
Product Description
Catalog Number:
AG00079S
Chemical Name:
1,4-Benzoxathiin, 2,3-dihydro-6-methyl-
CAS Number:
102363-66-6
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
IUPAC Name:
6-methyl-2,3-dihydro-1,4-benzoxathiine
InChI:
InChI=1S/C9H10OS/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6H,4-5H2,1H3
InChI Key:
UHPJCGVOCBGWON-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)SCCO2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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