AG00C8GQ

335032-69-4 | 1,5-Dimethyl-1H-indole-3-carbaldehyde

AG00C8GQ

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CAS Number	335032-69-4
Catalog Number	AG00C8GQ(AGN-PC-0WB5CJ)
Chemical Name	1,5-Dimethyl-1H-indole-3-carbaldehyde
IUPAC Name	1,5-dimethylindole-3-carbaldehyde
InChI	InChI=1S/C11H11NO/c1-8-3-4-11-10(5-8)9(7-13)6-12(11)2/h3-7H,1-2H3
InChI Key	BDHIBJIGOOTZMS-UHFFFAOYSA-N
MDL Number	MFCD06016158
Molecular Formula	C11H11NO
Molecular Weight	173.2111
SMILES	C1(C=O)=CN(C2=CC=C(C)C=C12)C
Synonyms	1,5-dimethyl-1H-indole-3-carbaldehyde, 335032-69-4, 1,5-dimethylindole-3-carbaldehyde, ZERO/005314, AC1LR7B6, SCHEMBL2275437, CTK4H0705, DTXSID70362889, BDHIBJIGOOTZMS-UHFFFAOYSA-N, ALBB-005044, ZINC1304647, ZX-AN004985, ZX-CM007784, 0570AE, FCH833221, MFCD06016158, SBB013323, STK501560, AKOS004119615, ACN-049164, MCULE-3709457345, ACM335032694, AJ-25358, SC-54509, 1H-Indole-3-carbaldehyde, 1,5-dimethyl-, 1H-Indole-3-carboxaldehyde,1,5-dimethyl-, ST4119457, TR-058567, Y-2047, C11H11NO, CID1419073,

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	H319-H317
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

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