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83732-87-0 | (2-Oxo-3-phenyl-2H-benzopyran-7-yl)ammonium hydrogen sulphate
CAS No: 83732-87-0 Catalog No: AG004T5U MDL No:
Product Description
Catalog Number:
AG004T5U
Chemical Name:
(2-Oxo-3-phenyl-2H-benzopyran-7-yl)ammonium hydrogen sulphate
CAS Number:
83732-87-0
Molecular Formula:
C15H13NO6S
Molecular Weight:
335.3318
IUPAC Name:
hydrogen sulfate;(2-oxo-3-phenylchromen-7-yl)azanium
InChI:
InChI=1S/C15H11NO2.H2O4S/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12;1-5(2,3)4/h1-9H,16H2;(H2,1,2,3,4)
InChI Key:
ZPIUHEQPLMCEFI-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.O=c1oc2cc([NH3+])ccc2cc1c1ccccc1
EC Number:
280-639-1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.046g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.33g/mol
Monoisotopic Mass:
335.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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