CAS
93919-16-5 Purity
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93919-16-5 Purity
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Potassium hydrogen-9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulfonate
CAS
93919-23-4
Catalog Number
ACM93919234
Category
Other Products
Molecular Weight
528.422800 [g/mol]
Molecular Formula
C14H5KN2O14S2
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Specification
Synonyms
EINECS 300-008-7, 93919-23-4, Potassium hydrogen -9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate
IUPAC Name
potassium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfoanthracene-2-sulfonate
Canonical SMILES
C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[K+]
InChI Key
CVGJHNRJCQPQIW-UHFFFAOYSA-M
EC Number
300-008-7
Exact Mass
527.88200
H-Bond Acceptor
14
H-Bond Donor
3
What is the molecular formula of the compound with PubChem CID 44148506?
The molecular formula is C14H5KN2O14S2.
What is the molecular weight of the compound?
The molecular weight is 528.4 g/mol.
What are the synonyms of the compound?
The synonyms include Potassium hydrogen-9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate.
When was the compound created and modified in PubChem?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is potassium;1,8-dihydroxy-4,5-dinitro-9,10-dioxo-7-sulfoanthracene-2-sulfonate.
What is the InChIKey of the compound?
The InChIKey is CVGJHNRJCQPQIW-UHFFFAOYSA-M.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 527.88192667 g/mol.
How many defined atom stereocenter counts are there in the compound?
There are 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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