AG002KKQ

21005-45-8 | 1H-Indole-6-carboxaldehyde, 1-methyl-

AG002KKQ

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CAS Number	21005-45-8
Catalog Number	AG002KKQ(AGN-PC-002PLM)
Chemical Name	1H-Indole-6-carboxaldehyde, 1-methyl-
IUPAC Name	1-methylindole-6-carbaldehyde
InChI	InChI=1S/C10H9NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-7H,1H3
InChI Key	QGAKKGIWURKKHV-UHFFFAOYSA-N
MDL Number	MFCD08690251
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	O=CC1=CC2=C(C=C1)C=CN2C
Synonyms	1-methyl-1H-indole-6-carbaldehyde, 21005-45-8, 1-methylindole-6-carbaldehyde, 1H-Indole-6-carboxaldehyde, 1-methyl-, CHEMBL3358226, 1H-Indole-6-carboxaldehyde,1-methyl-, 6-formy-1-methylindole, 6-formyl-1-methylindole, SCHEMBL1125855, Jsp004308, CTK4E5657, KS-00000AYA, DTXSID00564531, QGAKKGIWURKKHV-UHFFFAOYSA-N, ALBB-004940, BDBM50037815, MFCD08690251, STK501453, ZINC12370283, AKOS000321463, AC-2968, CS-W010883, RP02081, TRA0070729, AJ-61787, AK-78842, AN-13423, CJ-13976, DS-17516, SC-24354, SY003443, AB0040589, AB1001629, TR-009872, 1-Methyl-1H-indole-6-carboxaldehyde, 97%, BB 0261765, FT-0679043, Y8218, 1-methyl-1H-indole-6-carbaldehyde, AldrichCPR, A18440, K-6058, MFCD08690251 (97+%), I10-0848, W-206584, null, C10H9NO, (pyridin-2-ylthio)acetic acid, 24549-12-0,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
UN Code

Certificate of Analysis

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