AG007UCT

170489-16-4 | 1H-Indole-3-carboxaldehyde, 1,4-dimethyl-

AG007UCT

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CAS Number	170489-16-4
Catalog Number	AG007UCT(AGN-PC-03KYJ8)
Chemical Name	1H-Indole-3-carboxaldehyde, 1,4-dimethyl-
IUPAC Name	1,4-dimethylindole-3-carbaldehyde
InChI	InChI=1S/C11H11NO/c1-8-4-3-5-10-11(8)9(7-13)6-12(10)2/h3-7H,1-2H3
InChI Key	QGFBNIAKXKURCE-UHFFFAOYSA-N
MDL Number	MFCD11505328
Molecular Formula	C11H11NO
Molecular Weight	173.2111
SMILES	O=CC1=CN(C)C2=C1C(C)=CC=C2
Synonyms	1,4-dimethyl-1H-indole-3-carbaldehyde, 170489-16-4, 1H-Indole-3-carboxaldehyde, 1,4-dimethyl-, 1,4-dimethylindole-3-carboxaldehyde, SCHEMBL1093309, CTK0E4860, DTXSID90622795, 1,4-dimethylindole-3-carbaldehyde, ALBB-005043, ZX-AN004984, ZX-CM007850, 5494AD, FCH890865, MFCD11505328, STK501559, ZINC21953362, AKOS005171423, MCULE-2648315567, AJ-78762, SC-54508, 1H-Indole-3-carboxaldehyde,1,4-dimethyl-, TR-058566, Y-6775, C11H11NO,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.215g/mol
Monoisotopic Mass	173.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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