AG00DFJV

476199-14-1 | 4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

AG00DFJV

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CAS Number	476199-14-1
Catalog Number	AG00DFJV(AGN-PC-03TU54)
Chemical Name	4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
IUPAC Name	4-methoxy-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C10H8O3S/c1-13-7-3-2-4-8-6(7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key	HTOLZPMMZRKTCP-UHFFFAOYSA-N
MDL Number	MFCD07371550
Molecular Formula	C10H8O3S
Molecular Weight	208.2337
SMILES	O=C(C1=CC2=C(OC)C=CC=C2S1)O
Synonyms	476199-14-1, 4-Methoxybenzo[b]thiophene-2-carboxylic acid, 4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 4-methoxy-1-benzothiophene-2-carboxylic acid, SCHEMBL2761796, CTK4J0132, DTXSID20627793, HTOLZPMMZRKTCP-UHFFFAOYSA-N, BCP21962, KS-00000JW0, ANW-52967, MFCD07371550, ZINC80443947, AKOS015999804, AK-94189, DS-17931, AJ-123963, DB-028951, ST2418454, TC-141712, 4CH-012581, FT-0736986, L-1327, 4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLICACID,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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