AG00305R

30446-99-2 | 2-Methylbenzo[b]thiophene-3-carbaldehyde

AG00305R

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CAS Number	30446-99-2
Catalog Number	AG00305R(AGN-PC-0KZW4G)
Chemical Name	2-Methylbenzo[b]thiophene-3-carbaldehyde
IUPAC Name	2-methyl-1-benzothiophene-3-carbaldehyde
InChI	InChI=1S/C10H8OS/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChI Key	GDAUIGNXYBQHNU-UHFFFAOYSA-N
MDL Number	MFCD01651753
Molecular Formula	C10H8OS
Molecular Weight	176.2349
SMILES	CC1=C(C2=C(S1)C=CC=C2)C=O
Synonyms	30446-99-2, 2-methyl-1-benzothiophene-3-carbaldehyde, 2-methylbenzo[b]thiophene-3-carbaldehyde, Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-, AC1MWJYN, 2-Methylbenzo[b]thiophene-3-carboxaldehyde, SCHEMBL1093585, CTK1B3319, DTXSID10396264, GDAUIGNXYBQHNU-UHFFFAOYSA-N, CHEMBRDG-BB 4012562, ZINC5724454, ZX-CM003981, 5083AH, FCH835738, MFCD01651753, SBB089185, AKOS006283719, MCULE-8821454532, ACM30446992, AJ-54633, AS-46988, FT-0727171, W-8487, F2167-9493, C10H8OS, CHEMBRDG-BB4012562, 2-methylbenzothiophene-3-carbaldehyde, CID3775467, 1-(4-ethyl-4H-1,2,4-triazol-3-yl)ethanamine,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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