AG00CACL

3781-90-6 | Benzo[b]thiophene,4-Methoxy-

AG00CACL

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CAS Number	3781-90-6
Catalog Number	AG00CACL(AGN-PC-0NJNKW)
Chemical Name	Benzo[b]thiophene,4-Methoxy-
IUPAC Name	4-methoxy-1-benzothiophene
InChI	InChI=1S/C9H8OS/c1-10-8-3-2-4-9-7(8)5-6-11-9/h2-6H,1H3
InChI Key	YPOBRGLUEDOCKJ-UHFFFAOYSA-N
MDL Number	MFCD18452497
Molecular Formula	C9H8OS
Molecular Weight	164.2242
SMILES	COC1=C(C=CS2)C2=CC=C1
Synonyms	4-MBA cpd, 4-methoxy-benzo(b)thiophene, 4-methoxybenzo[b]thiophene, 3781-90-6, 4-METHOXY-1-BENZOTHIOPHENE, 4-Methoxybenzo(b)thiophene, 4-methoxybenzothiophene, 4-methoxy-benzo[b]thiophene, benzo[b]thiophene,4-methoxy-, SCHEMBL827010, Benzo[b]thiophene, 4-methoxy-, CTK1B5365, DTXSID40504754, YPOBRGLUEDOCKJ-UHFFFAOYSA-N, MFCD18452497, ZINC39255786, AKOS025395740, AS-49535, FT-0730986,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.03g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.222g/mol
Monoisotopic Mass	164.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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