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89177-02-6 | 1,2-Benzoxathiin-5(6H)-one, 3,4,7,8-tetrahydro-, 2,2-dioxide
CAS No: 89177-02-6 Catalog No: AG003W9X MDL No:
Product Description
Catalog Number:
AG003W9X
Chemical Name:
1,2-Benzoxathiin-5(6H)-one, 3,4,7,8-tetrahydro-, 2,2-dioxide
CAS Number:
89177-02-6
Molecular Formula:
C8H10O4S
Molecular Weight:
202.2276
IUPAC Name:
2,2-dioxo-4,6,7,8-tetrahydro-3H-1,2λ6-benzoxathiin-5-one
InChI:
InChI=1S/C8H10O4S/c9-7-2-1-3-8-6(7)4-5-13(10,11)12-8/h1-5H2
InChI Key:
MHGPFARFMBTMPP-UHFFFAOYSA-N
SMILES:
O=C1CCCC2=C1CCS(=O)(=O)O2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.224g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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