AG003JQM

22053-74-3 | 3-Methylbenzo[b]thiophene-2-carbaldehyde

AG003JQM

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CAS Number	22053-74-3
Catalog Number	AG003JQM(AGN-PC-0JS95T)
Chemical Name	3-Methylbenzo[b]thiophene-2-carbaldehyde
IUPAC Name	3-methyl-1-benzothiophene-2-carbaldehyde
InChI	InChI=1S/C10H8OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3
InChI Key	DRZGHNXLEQHVHB-UHFFFAOYSA-N
MDL Number	MFCD00052307
Molecular Formula	C10H8OS
Molecular Weight	176.2349
SMILES	O=CC1=C(C)C2=CC=CC=C2S1
Synonyms	22053-74-3, 3-Methylbenzo[b]thiophene-2-carboxaldehyde, 3-methylbenzo[b]thiophene-2-carbaldehyde, 3-Methyl-1-benzothiophene-2-carbaldehyde, 3-methylbenzo(b)thiophene-2-carboxaldehyde, DRZGHNXLEQHVHB-UHFFFAOYSA-N, MFCD00052307, 3-Methylthianaphthene-2-carboxaldehyde, 3-methyl-benzo[b]thiophene-2-carbaldehyde, PubChem7453, AC1LATBT, ACMC-20an0e, AC1Q2GK3, SCHEMBL157274, CTK4E8425, DTXSID20334192, ZINC162047, ZX-AT010306, 7533AD, BBL104348, OR7692, SBB089184, STK400191, AKOS005255495, 3-methyl-2-benzothiophenecarboxaldehyde, FCH1117507, FS-4609, MCULE-8279131283, VT20241, AJ-15879, CC-15600, ZB007785, 3-methyl benzo[b]thiophene-2-carbaldehyde, 3-methylbenzo[b]thiophene-2 carboxaldehyde, 3-methyl-1-benzothiophene-2-carboxaldehyde, AX8012777, DB-045777, TR-010384, 3-Methyl-1-benzothiophene-2-carbaldehyde #, FT-0616123, ST50662746, Benzo[b]thiophene-2-carboxaldehyde,3-methyl-, Benzo[b]thiophene-2-carboxaldehyde, 3-methyl-, Z-1411, 3-Methylbenzo[b]thiophene-2-carboxaldehyde, 97%, A815887, C-06151, J-014452, I01-13682, C10H8OS, 3-methylbenzothiophene-2-carbaldehyde, CID519918, ZINC00162047,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.233g/mol
Monoisotopic Mass	176.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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