AG00C672

3414-19-5 | 5-Hydroxy-1H-indole-3-carbaldehyde

AG00C672

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CAS Number	3414-19-5
Catalog Number	AG00C672(AGN-PC-0WAMLC)
Chemical Name	5-Hydroxy-1H-indole-3-carbaldehyde
IUPAC Name	5-hydroxy-1H-indole-3-carbaldehyde
InChI	InChI=1S/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12H
InChI Key	MACGYEHQAHCRRD-UHFFFAOYSA-N
MDL Number	MFCD06804528
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=CC1=CNC2=C1C=C(O)C=C2
Synonyms	5-hydroxy-1H-indole-3-carbaldehyde, 3414-19-5, CHEMBL506465, 5-hydroxy-1H-indole-3-carboxaldehyde, 5-HYDROXYINDOLE-3-CARBOXALDEHYDE, AC1NT59I, SCHEMBL337458, 5-hydroxyindole-3-carbaldehyde, CTK4H1795, DTXSID20415915, 5-hydroxy-indole-3-carboxaldehyde, 5-oxidanyl-1H-indole-3-carbaldehyde, ANW-48276, BDBM50276441, CH-396, MFCD06804528, ZINC14455604, AKOS006240722, AB30319, CS-W022389, QC-1863, 1H-Indole-3-carboxaldehyde,5-hydroxy-, KS-00000K33, AJ-64875, AK-68692, BR-68692, CJ-14542, DS-17064, AB0024319, DB-068938, ST2418790, TC-137021, 4CH-003630, BB 0261018, FT-0694764, W5565, S-6840, A822094, J-019464, InChI=1/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12, C9H7NO2, ACN-048620, CID5324534,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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