CAS
94006-33-4 Purity
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94006-33-4 Purity
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2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate
CAS
94006-36-7
Catalog Number
ACM94006367
Category
Other Products
Molecular Weight
413.446960 [g/mol]
Molecular Formula
C20H19N3O5S
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Specification
Synonyms
EINECS 301-373-5, 2-(2-Pyridylazo)-4-sulpho-1-naphthyl pivalate, 94006-36-7
IUPAC Name
4-(2,2-dimethylpropanoyloxy)-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid
Canonical SMILES
CC(C)(C)C(=O)OC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)N=NC3=CC=CC=N3
InChI Key
AIOACQSIUYJNGF-UHFFFAOYSA-N
Density
1.34g/cm³
EC Number
301-373-5
Exact Mass
413.10500
H-Bond Acceptor
8
H-Bond Donor
1
What is the molecular formula of 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate?
The molecular formula is C20H19N3O5S.
What is the molecular weight of 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate?
The molecular weight is 413.4 g/mol.
When was 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate created and last modified?
It was created on 2007-07-11 and last modified on 2023-12-30.
What is the IUPAC name of 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate?
The IUPAC name is 4-(2,2-dimethylpropanoyloxy)-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid.
What is the Canonical SMILES of 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate?
The Canonical SMILES is CC(C)(C)C(=O)OC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)N=NC3=CC=CC=N3.
What is the InChIKey of 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate?
The InChIKey is AIOACQSIUYJNGF-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate have?
It has 1 hydrogen bond donor count.
What is the Heavy Atom Count of 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate?
The Heavy Atom Count is 29.
Does 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate have defined atom stereocenter counts?
No, it has a defined atom stereocenter count of 0.
Is 2-(2-Pyridylazo)-4-sulfo-1-naphthyl pivalate a canonicalized compound?
Yes, it is a canonicalized compound.
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94006-38-9 Purity
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