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7740-07-0 | 1,3-Benzoxathiole, 2,2-dimethyl-
CAS No: 7740-07-0 Catalog No: AG005BK2 MDL No:
Product Description
Catalog Number:
AG005BK2
Chemical Name:
1,3-Benzoxathiole, 2,2-dimethyl-
CAS Number:
7740-07-0
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
IUPAC Name:
2,2-dimethyl-1,3-benzoxathiole
InChI:
InChI=1S/C9H10OS/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3
InChI Key:
KREIDUINHPOIDI-UHFFFAOYSA-N
SMILES:
CC1(C)Oc2c(S1)cccc2
Properties
Complexity:
156
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:
2.9
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