CAS
99067-15-9 Purity
96%
99067-15-9 Purity
96%
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Dinitropyridyl-dl-methionine
CAS
99069-85-9
Catalog Number
ACM99069859
Category
Other Products
Molecular Weight
316.290480 [g/mol]
Molecular Formula
C10H12N4O6S
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Specification
Synonyms
CTK5I0198, DINITROPYRIDYL-DL-METHIONINE, AG-I-00877, 99069-85-9
IUPAC Name
4-methylsulfanyl-2-nitro-2-[nitro(pyridin-2-yl)amino]butanoic acid
Canonical SMILES
CSCCC(C(=O)O)(N(C1=CC=CC=N1)[N+](=O)[O-])[N+](=O)[O-]
InChI Key
IHWFIXUDCJWLNI-UHFFFAOYSA-N
Exact Mass
316.04800
H-Bond Acceptor
9
H-Bond Donor
1
What is the molecular formula of Dinitropyridyl-dl-methionine?
The molecular formula is C10H12N4O6S.
What is the molecular weight of Dinitropyridyl-dl-methionine?
The molecular weight is 316.29 g/mol.
What is the IUPAC name of Dinitropyridyl-dl-methionine?
The IUPAC name is 4-methylsulfanyl-2-nitro-2-[nitro(pyridin-2-yl)amino]butanoic acid.
What is the InChI of Dinitropyridyl-dl-methionine?
The InChI is "InChI=1S/C10H12N4O6S/c1-21-7-5-10(9(15)16,13(17)18)12(14(19)20)8-4-2-3-6-11-8/h2-4,6H,5,7H2,1H3,(H,15,16)".
What is the InChIKey of Dinitropyridyl-dl-methionine?
The InChIKey is "IHWFIXUDCJWLNI-UHFFFAOYSA-N".
What is the Canonical SMILES of Dinitropyridyl-dl-methionine?
The Canonical SMILES is "CSCCC(C(=O)O)(N(C1=CC=CC=N1)[N+](=O)[O-])[N+](=O)[O-]".
What is the CAS number of Dinitropyridyl-dl-methionine?
The CAS number is 99069-85-9.
What is the XLogP3-AA value of Dinitropyridyl-dl-methionine?
The XLogP3-AA value is 2.
Is Dinitropyridyl-dl-methionine a canonicalized compound?
Yes, Dinitropyridyl-dl-methionine is a canonicalized compound.
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