AG00C8AJ

40133-07-1 | 4,5,6,7-Tetrahydro-Benzo[B]Thiophene-2-Carboxylic Acid

AG00C8AJ

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CAS Number	40133-07-1
Catalog Number	AG00C8AJ(AGN-PC-0C6FBB)
Chemical Name	4,5,6,7-Tetrahydro-Benzo[B]Thiophene-2-Carboxylic Acid
IUPAC Name	4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
InChI Key	ROLXOQXKNDKXTA-UHFFFAOYSA-N
MDL Number	MFCD00464469
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	O=C(C1=CC(CCCC2)=C2S1)O
Synonyms	40133-07-1, 4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid, 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, CHEMBL1497209, MFCD00464469, Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-, SMR000061095, ACMC-1ASBB, Enamine_001826, AC1Q73SJ, Oprea1_686622, MLS000096433, AC1M14D9, SCHEMBL1068704, KS-00000NUJ, DTXSID70366266, ROLXOQXKNDKXTA-UHFFFAOYSA-N, HMS1399C22, HMS2179B15, ALBB-000244, BCP07425, ZINC2565725, ANW-29288, BBL016248, BDBM50427209, SBB009460, STK349487, AKOS000121728, CCG-164988, CS-W008711, CT-1042, FS-3054, MCULE-4358891773, RTC-020465, AJ-41166, AK-35036, BAS 13134257, BR-35036, SC-87360, ST080882, SY019439, AB0024729, ST2417885, TR-016014, 4CH-015723, AM20100064, BB 0237591, FT-0677810, W6052, EN300-05709, MFCD00464469 (95%), S-3930, 2-Carboxy-4,5,6,7-tetrahydro-1-benzothiophene, 2-Carboxy-4,5,6,7-tetrahydrobenzo[b]thiophene, Z56822379, 4,5,6,7-tetrahydrobenzo[b]-thiophene-2-carboxylic acid, F8881-7803, 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC, Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrahydro-, 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid, 97%, 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, AldrichCPR, C9H10O2S, Benzo[b]thiophene-2-carboxylic acid, CID2063443, (2S)-1,2-dimethylpiperazine dihydrochloride, 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylicacid, 6314-28-9,

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	2.7

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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