AG002LZG

23046-02-8 | Benzo[b]thiophene-2-carboxylic acid, 5-methoxy-

AG002LZG

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CAS Number	23046-02-8
Catalog Number	AG002LZG(AGN-PC-0KNS0M)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 5-methoxy-
IUPAC Name	5-methoxy-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C10H8O3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key	CSMSEXYPAWBSCB-UHFFFAOYSA-N
MDL Number	MFCD07371536
Molecular Formula	C10H8O3S
Molecular Weight	208.2337
SMILES	O=C(C1=CC2=CC(OC)=CC=C2S1)O
Synonyms	5-Methoxybenzo[b]thiophene-2-carboxylic acid, 23046-02-8, 5-methoxy-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 5-methoxy-, 5-Methoxy-benzo[b]thiophene-2-carboxylic acid, AC1MHO79, CHEMBL83935, SCHEMBL1867721, CTK8B8483, DTXSID20388352, CSMSEXYPAWBSCB-UHFFFAOYSA-N, ZX-RL001797, 1483AB, ANW-60438, CM0069, MFCD07371536, ZINC13529957, AKOS016003312, FCH1382922, RL02724, 5-methoxybenzothiophene-2-carboxylic acid, AJ-64070, AK101065, AS-43217, OR305046, AB0175800, AX8026314, TC-149183, FT-0745477, L-1328, J-517697, F9995-2770, C10H8O3S, AIDS209141, CID3008388,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.231g/mol
Monoisotopic Mass	208.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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