AG001DVN

1463-67-8 | 1H-Indole-2-carboxaldehyde, 3,5-dimethyl-

AG001DVN

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CAS Number	1463-67-8
Catalog Number	AG001DVN(AGN-PC-0LU53X)
Chemical Name	1H-Indole-2-carboxaldehyde, 3,5-dimethyl-
IUPAC Name	3,5-dimethyl-1H-indole-2-carbaldehyde
InChI	InChI=1S/C11H11NO/c1-7-3-4-10-9(5-7)8(2)11(6-13)12-10/h3-6,12H,1-2H3
InChI Key	XFYUNHFBHYCXIN-UHFFFAOYSA-N
MDL Number	MFCD07643177
Molecular Formula	C11H11NO
Molecular Weight	173.2111
SMILES	C1(C=O)=C(C)C2C(=CC=C(C)C=2)N1
Synonyms	3,5-Dimethyl-1H-indole-2-carbaldehyde, 1463-67-8, AC1O5GMA, CTK4C4936, DTXSID90424352, 3,5-dimethylindole-2-carbaldehyde, ZINC4503363, ZX-CM003253, 3,5-dimethyl-indole-2-carbaldehyde, 4458AD, FCH833095, MFCD07643177, AKOS000303203, MCULE-6247653038, AJ-51273, BAS 08767472, TR-055802, 1H-Indole-2-carboxaldehyde, 3,5-dimethyl-, ST50285694, K-4677, 3,5-Dimethyl-1H-indole-2-carbaldehyde, AldrichCPR, C11H11NO, ZINC04503363, CID6483893,

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	1
Isotope Atom Count	0
Molecular Weight	173.215g/mol
Monoisotopic Mass	173.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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