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2642-37-7 | 1H-Indol-3-ol, 3-(hydrogen sulfate), potassium salt (1:1)
CAS No: 2642-37-7 Catalog No: AG002T53 MDL No:MFCD00037931
Product Description
Catalog Number:
AG002T53
Chemical Name:
1H-Indol-3-ol, 3-(hydrogen sulfate), potassium salt (1:1)
CAS Number:
2642-37-7
Molecular Formula:
C8H6KNO4S
Molecular Weight:
251.3008
MDL Number:
MFCD00037931
IUPAC Name:
potassium;1H-indol-3-yl sulfate
InChI:
InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChI Key:
MDAWATNFDJIBBD-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)Oc1c[nH]c2c1cccc2.[K+]
EC Number:
220-145-5
UNII:
567HMW942W
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.965g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.297g/mol
Monoisotopic Mass:
250.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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