AG0004AC

10134-95-9 | Benzo[b]thiophene-4-carboxylic acid

AG0004AC

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CAS Number	10134-95-9
Catalog Number	AG0004AC(AGN-PC-0JZUZT)
Chemical Name	Benzo[b]thiophene-4-carboxylic acid
IUPAC Name	1-benzothiophene-4-carboxylic acid
InChI	InChI=1S/C9H6O2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,(H,10,11)
InChI Key	REVHWEJAHDLSTJ-UHFFFAOYSA-N
MDL Number	MFCD01929340
Molecular Formula	C9H6O2S
Molecular Weight	178.2077
SMILES	OC(=O)C1=CC=CC2=C1C=CS2
Synonyms	benzo[b]thiophene-4-carboxylic acid, 10134-95-9, Benzothiophene-4-carboxylic Acid, 1-benzothiophene-4-carboxylic acid, AK-65237, akos bc-0215, AC1LKWC8, 4-benzothiophenecarboxylic acid, SCHEMBL2083799, CTK0H1721, DTXSID90359993, REVHWEJAHDLSTJ-UHFFFAOYSA-N, Benzo[b]thiophene-4-carboxylicacid, ZINC730811, KS-00000FQ1, ANW-57162, FCH832562, MFCD01929340, RB3274, AKOS000282503, DS-2214, FS-3609, MP-1405, AJ-23840, AB0037811, AX8115920, DB-008924, TC-145907, 4CH-007067, FT-0696408, ST24030120, Y5142, 501B174, C9H6O2S, Benzo[b]thiophene-7-carboxylic acid, CID1051638, FS002050, 10501-17-4,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.205g/mol
Monoisotopic Mass	178.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number