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88090-56-6 | 2,6-Pyridinedicarboxylicacid, 4-[(2-mercaptoethyl)amino]-
CAS No: 88090-56-6 Catalog No: AG004EKD MDL No:
Product Description
Catalog Number:
AG004EKD
Chemical Name:
2,6-Pyridinedicarboxylicacid, 4-[(2-mercaptoethyl)amino]-
CAS Number:
88090-56-6
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
IUPAC Name:
4-(2-sulfanylethylamino)pyridine-2,6-dicarboxylic acid
InChI:
InChI=1S/C9H10N2O4S/c12-8(13)6-3-5(10-1-2-16)4-7(11-6)9(14)15/h3-4,16H,1-2H2,(H,10,11)(H,12,13)(H,14,15)
InChI Key:
YXWYPKOQIRUVOD-UHFFFAOYSA-N
SMILES:
SCCNc1cc(nc(c1)C(=O)O)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.249g/mol
Monoisotopic Mass:
242.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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