CAS
93941-91-4 Purity
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93941-91-4 Purity
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5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid
CAS
93941-99-2
Catalog Number
ACM93941992
Category
Other Products
Molecular Weight
590.600440 [g/mol]
Molecular Formula
C30H26N2O9S
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Specification
Synonyms
EINECS 300-548-3, CID3023009, 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulphonic acid, 93941-99-2
IUPAC Name
5,8-diamino-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracene-1-sulfonic acid
Canonical SMILES
C1=CC=C(C=C1)OCCOC2=C(C3=C(C(=C2OCCOC4=CC=CC=C4)N)C(=O)C5=C(C3=O)C=CC=C5S(=O)(=O)O)N
InChI Key
YUTSNTYEOVRNGJ-UHFFFAOYSA-N
Density
1.461g/cm³
EC Number
300-548-3
Exact Mass
590.13600
H-Bond Acceptor
11
H-Bond Donor
3
What is the molecular formula of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?
The molecular formula is C30H26N2O9S.
What is the molecular weight of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?
The molecular weight is 590.6 g/mol.
When was the compound first created?
The compound was first created on August 8, 2005.
What is the InChIKey of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?
The InChIKey is YUTSNTYEOVRNGJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
It has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?
The XLogP3-AA value is 4.6.
What is the topological polar surface area of the compound?
The topological polar surface area is 186 Å2.
How many rotatable bond counts does the compound have?
It has 11 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the formal charge of 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulfonic acid?
The formal charge is 0.
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