CAS
91987-74-5 Purity
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91987-74-5 Purity
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1-Acetamido-8-hydroxy-3,6-naphthalenedisulfonic acid monosodium salt
CAS
91990-52-2
Catalog Number
ACM91990522
Category
Other Products
Molecular Weight
383.33
Molecular Formula
C12H10NNaO8S2
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Specification
Synonyms
1-ACETAMIDO-8-HYDROXY-3,6-NAPHTHALENEDISULFONIC ACID MONOSODIUM SALT
IUPAC Name
sodium;4-acetamido-5-hydroxy-7-sulfonaphthalene-2-sulfonate
Canonical SMILES
CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2O)S(=O)(=O)O.[Na+]
InChI Key
UBWDCFIRJTTXOO-UHFFFAOYSA-M
Exact Mass
382.97500
H-Bond Acceptor
8
H-Bond Donor
3
What is the molecular formula of 1-Acetamido-8-hydroxy-3,6-naphthalenedisulfonic acid monosodium salt?
The molecular formula is C12H10NNaO8S2.
What is the molecular weight of 1-Acetamido-8-hydroxy-3,6-naphthalenedisulfonic acid monosodium salt?
The molecular weight is 383.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is sodium;4-acetamido-5-hydroxy-7-sulfonaphthalene-2-sulfonate.
What is the InChI of the compound?
The InChI is InChI=1S/C12H11NO8S2.Na/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);/q;+1/p-1
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2O)S(=O)(=O)O.[Na+]
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 8 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 382.97455291 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 178 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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