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1256833-38-1 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-(methylthio)-
CAS No: 1256833-38-1 Catalog No: AG000OGM MDL No:MFCD18256996
Product Description
Catalog Number:
AG000OGM
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-(methylthio)-
CAS Number:
1256833-38-1
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD18256996
IUPAC Name:
4-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O2S/c1-14-7-2-3-10-8-5(7)4-6(11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
NNRSUCDPUGECST-UHFFFAOYSA-N
SMILES:
CSc1ccnc2c1cc([nH]2)C(=O)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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