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88354-07-8 | 4H-1,3-Benzodioxin-4-one, 2-methyl-2-[(3-methylphenyl)thio]-
CAS No: 88354-07-8 Catalog No: AG0045A9 MDL No:
Product Description
Catalog Number:
AG0045A9
Chemical Name:
4H-1,3-Benzodioxin-4-one, 2-methyl-2-[(3-methylphenyl)thio]-
CAS Number:
88354-07-8
Molecular Formula:
C16H14O3S
Molecular Weight:
286.3456
IUPAC Name:
2-methyl-2-(3-methylphenyl)sulfanyl-1,3-benzodioxin-4-one
InChI:
InChI=1S/C16H14O3S/c1-11-6-5-7-12(10-11)20-16(2)18-14-9-4-3-8-13(14)15(17)19-16/h3-10H,1-2H3
InChI Key:
DRMGIHHKDIMSQU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)SC1(C)OC(=O)c2c(O1)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.345g/mol
Monoisotopic Mass:
286.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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