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1256813-30-5 | 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 4-(methylthio)-
CAS No: 1256813-30-5 Catalog No: AG000OED MDL No:MFCD18256998
Product Description
Catalog Number:
AG000OED
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 4-(methylthio)-
CAS Number:
1256813-30-5
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD18256998
IUPAC Name:
4-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O2S/c1-14-8-4-10-3-7-5(8)2-6(11-7)9(12)13/h2-4,11H,1H3,(H,12,13)
InChI Key:
CPCSKOLCGIOUSR-UHFFFAOYSA-N
SMILES:
CSc1cncc2c1cc([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:
1.4
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