AG0059UE

75894-07-4 | 2-(Benzo[B]Thiophen-2-Yl)Acetic Acid

AG0059UE

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CAS Number	75894-07-4
Catalog Number	AG0059UE(AGN-PC-0NK6R6)
Chemical Name	2-(Benzo[B]Thiophen-2-Yl)Acetic Acid
IUPAC Name	2-(1-benzothiophen-2-yl)acetic acid
InChI	InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
InChI Key	SAAWNQLNUJBOLW-UHFFFAOYSA-N
MDL Number	MFCD09927470
Molecular Formula	C10H8O2S
Molecular Weight	192.2343
SMILES	OC(=O)CC1=CC2=C(S1)C=CC=C2
Synonyms	2-(Benzo[b]thiophen-2-yl)acetic acid, 75894-07-4, 2-(1-benzothiophen-2-yl)acetic acid, 1-benzothien-2-ylacetic acid, 1-Benzothiophen-2-Ylacetic Acid, 2-benzothienyl acetic acid, SCHEMBL631264, 2-benzo[b]thienyl acetic acid, Benzo[b]thiophene-2-acetic acid, CTK2G8505, DTXSID50509336, SAAWNQLNUJBOLW-UHFFFAOYSA-N, benzo[b]thiophen-2-yl-acetic acid, (1-Benzothiophen-2-yl)acetic acid, KS-00000OM3, 1792AC, ANW-59104, MFCD09927470, ZINC39281982, AKOS006312877, AJ-99619, AK-48677, DS-14817, AB0070311, ST2403999, TC-147849, 4CH-017209, FT-0716566, W-4279, Z2234185604, 2FX, C10H8O2S, 1-BENZOTHIEN-2-YLACETICACID, 2-(Benzo[b]thiophen-2-yl)aceticacid,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.025g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.232g/mol
Monoisotopic Mass	192.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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