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Home > Nitro Compounds > 99069-85-9
99069-85-9 | DINITROPYRIDYL-DL-METHIONINE
CAS No: 99069-85-9 Catalog No: AG005T8B MDL No:
Product Description
Catalog Number:
AG005T8B
Chemical Name:
DINITROPYRIDYL-DL-METHIONINE
CAS Number:
99069-85-9
Molecular Formula:
C10H12N4O6S
Molecular Weight:
316.2905
IUPAC Name:
4-methylsulfanyl-2-nitro-2-[nitro(pyridin-2-yl)amino]butanoic acid
InChI:
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)
InChI Key:
IHWFIXUDCJWLNI-UHFFFAOYSA-N
SMILES:
CSCCC(N(c1ccccn1)[N+](=O)[O-])(C(=O)O)[N+](=O)[O-]
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.288g/mol
Monoisotopic Mass:
316.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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