AG00II8V

944900-73-6 | 6-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

AG00II8V

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CAS Number	944900-73-6
Catalog Number	AG00II8V(AGN-PC-0WD7IN)
Chemical Name	6-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
IUPAC Name	6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI	InChI=1S/C9H8N2O2/c1-13-8-3-2-7-6(5-12)4-10-9(7)11-8/h2-5H,1H3,(H,10,11)
InChI Key	NBQVQGUZQTWSBV-UHFFFAOYSA-N
MDL Number	MFCD10697641
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	COC1=CC=C2C(NC=C2C=O)=N1
Synonyms	6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, 944900-73-6, 6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde, DTXSID70676872, FCH881961, MFCD10697641, ZINC44712840, AKOS006305567, AB60137, AK171329, AS-53166, DB-079924, CS-0050182, FT-0652929, 6-METHOXY-7-AZAINDOLE-3-CARBALDEHYDE, W-3552, A844973, S14-1796,

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	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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