AG00804R

133994-99-7 | 1-Methyl-1H-indole-4-carbaldehyde

AG00804R

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CAS Number	133994-99-7
Catalog Number	AG00804R(AGN-PC-01DH4Z)
Chemical Name	1-Methyl-1H-indole-4-carbaldehyde
IUPAC Name	1-methylindole-4-carbaldehyde
InChI	InChI=1S/C10H9NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-7H,1H3
InChI Key	GFTNSZIYQMJJMD-UHFFFAOYSA-N
MDL Number	MFCD08690261
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	C(=O)c1c2c(n(cc2)C)ccc1
Synonyms	1-methyl-1H-indole-4-carbaldehyde, 133994-99-7, 1-methylindole-4-carbaldehyde, 1-Methylindole-4-carboxaldehyde, PubChem20444, ACMC-20a8ho, SCHEMBL1253598, CTK0H0007, DTXSID60589402, GFTNSZIYQMJJMD-UHFFFAOYSA-N, ALBB-004945, KS-00000IK3, 1-methyl-1H-indol-4-carboxaldehyde, ANW-61930, MFCD08690261, STK501437, ZINC12370305, AKOS004122135, CM-1791, DS-2458, MCULE-6815624260, MP-0915, RTR-004605, AJ-61793, AK-58188, CJ-13980, AB0064317, AB1007563, DB-063004, 4CH-009367, FT-0679047, ST24027116, Z4100, 1-Methyl-1H-indole-4-carbaldehyde, AldrichCPR, I10-1183, null, C10H9NO, 1H-Indole-4-carboxaldehyde, 1-methyl-,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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