AG002FBP

19156-54-8 | Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-

AG002FBP

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CAS Number	19156-54-8
Catalog Number	AG002FBP(AGN-PC-0JW4UC)
Chemical Name	Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-
IUPAC Name	4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
InChI	InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
InChI Key	TUZZQEHPGHKGRJ-UHFFFAOYSA-N
MDL Number	MFCD00652575
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	O=C(C1=CSC2=C1CCCC2)O
Synonyms	19156-54-8, 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid, MFCD00652575, Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-, TUZZQEHPGHKGRJ-UHFFFAOYSA-N, AC1LGAAQ, BAS 09637089, AC1Q5TK4, SCHEMBL1121822, CTK0H8681, DTXSID80354275, HMS1695K03, ZINC245897, AC1Q7437, ALBB-000921, ANW-75282, BBL015147, SBB007034, STK414922, AKOS000121736, MCULE-1697153749, TRA0064011, AJ-18319, AK105483, BS-13584, DA-08749, SC-20443, ST074012, AB0154163, AB1008784, TR-008889, BB 0221292, CS-0060794, EU-0067957, FT-0678479, V4044, EN300-00863, W-7445, SR-01000398788, SR-01000398788-1, I01-16170, Z56974769, Benzo[b]thiophene-3-carboxylicacid, 4,5,6,7-tetrahydro-, 4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC A, 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLICACID, 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid, 97%, 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid, AldrichCPR, null, C9H10O2S, 1-Benzothiophene-3-carboxylic acid, AR-1F8236, CID767738, ACN-043580, 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylicacid, 2-METHYL-N-[(3-METHYL-2-THIENYL)METHYL]-2-PROPANAMINE, 19225-14-0,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.237g/mol
Monoisotopic Mass	182.04g/mol
Rotatable Bond Count	1
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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