AG001E99

1467-86-3 | Benzo[b]thiophene-2-carboxylic acid, 6-methyl-

AG001E99

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CAS Number	1467-86-3
Catalog Number	AG001E99(AGN-PC-0NKEF6)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 6-methyl-
IUPAC Name	6-methyl-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C10H8O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)
InChI Key	KQRBOHOKLNORTA-UHFFFAOYSA-N
MDL Number	MFCD07377056
Molecular Formula	C10H8O2S
Molecular Weight	192.2343
SMILES	O=C(C1=CC2=CC=C(C)C=C2S1)O
Synonyms	1467-86-3, 6-Methylbenzo[b]thiophene-2-carboxylic acid, 6-Methyl-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 6-methyl-, AK130986, MFCD07377056, SCHEMBL121300, CTK0E9240, DTXSID30510526, KQRBOHOKLNORTA-UHFFFAOYSA-N, KS-00002AA3, ZX-AT006846, 2-Carboxy-6-methyl-1-benzothiophene, OR3103, ZINC16123731, AKOS016014836, ACN-048910, CM13912, FCH1122855, PS-4830, SB14694, 6-methylbenzothiophene-2-carboxylic acid, AJ-68257, SC-28171, 6-methyl-2-benzo[b]thiophenecarboxylic acid, AX8251909, CS-0043148, ST24045493, K-4687, (S)-4-(Pyrrolidin-3-yl)thiomorpholine 1,1-dioxide-2HCl, 6-methylbenzo[b]thiophene-2-carboxylic acid, 95% - 1G 1g,

Complexity	217
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	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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