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84200-61-3 | 4H-1-Benzopyran-3-sulfinicacid, 4-oxo-
CAS No: 84200-61-3 Catalog No: AG004YI9 MDL No:MFCD28671824
Product Description
Catalog Number:
AG004YI9
Chemical Name:
4H-1-Benzopyran-3-sulfinicacid, 4-oxo-
CAS Number:
84200-61-3
Molecular Formula:
C9H6O4S
Molecular Weight:
210.2065
MDL Number:
MFCD28671824
IUPAC Name:
4-oxochromene-3-sulfinic acid
InChI:
InChI=1S/C9H6O4S/c10-9-6-3-1-2-4-7(6)13-5-8(9)14(11)12/h1-5H,(H,11,12)
InChI Key:
QLTCJGKNMQJJNI-UHFFFAOYSA-N
SMILES:
OS(=O)c1coc2c(c1=O)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.203g/mol
Monoisotopic Mass:
209.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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