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Home > Aldehydes > 1190323-05-7
1190323-05-7 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 6-methoxy-
CAS No: 1190323-05-7 Catalog No: AG000I2V MDL No:
Product Description
Catalog Number:
AG000I2V
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 6-methoxy-
CAS Number:
1190323-05-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
6-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-13-7-2-8-9(11-4-7)6(5-12)3-10-8/h2-5,10H,1H3
InChI Key:
ZFSLPOGRISAROT-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1)[nH]cc2C=O
Properties
Complexity:
198
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:
0.5
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