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1261474-46-7 | 1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid, methyl ester
CAS No: 1261474-46-7 Catalog No: AG000RRW MDL No:MFCD18417524
Product Description
Catalog Number:
AG000RRW
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid, methyl ester
CAS Number:
1261474-46-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD18417524
IUPAC Name:
methyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)6-2-4-10-7-3-5-11-8(6)7/h2-5,11H,1H3
InChI Key:
DVJBYOCQBSKGAC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc2c1[nH]cc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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