AG003BZH

1131-09-5 | (Benzo[b]thiophen-3-yl)acetic acid

AG003BZH

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CAS Number	1131-09-5
Catalog Number	AG003BZH(AGN-PC-0JL9XP)
Chemical Name	(Benzo[b]thiophen-3-yl)acetic acid
EC Number	214-461-2
IUPAC Name	2-(1-benzothiophen-3-yl)acetic acid
InChI	InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
InChI Key	VFZQJKXVHYZXMM-UHFFFAOYSA-N
MDL Number	MFCD00051637
Molecular Formula	C10H8O2S
Molecular Weight	192.2343
SMILES	OC(=O)CC1=CSC2=C1C=CC=C2
Synonyms	1131-09-5, Benzo[b]thiophene-3-acetic acid, (Benzo[b]thiophen-3-yl)acetic acid, 3-Benzo(b)thienylacetic acid, 2-(benzo[b]thiophen-3-yl)acetic acid, Acetic acid, 3-benzo(b)thienyl-, 2-(1-benzothiophen-3-yl)acetic acid, 2-Benzo[b]thiophen-3-ylacetic acid, Benzothiophene-3-acetic acid, 3-Benzo(b)thiopheneacetic acid, Benzo(b)thiophene-3-acetic acid, EINECS 214-461-2, NSC 18875, NSC 93635, thianaphthene-3-acetic acid, BRN 0143357, 1-benzothien-3-ylacetic acid, Benzo[b]thiophene-3-aceticacid, VFZQJKXVHYZXMM-UHFFFAOYSA-N, 5-18-06-00447 (Beilstein Handbook Reference), MFCD00051637, 3-Benzo[b]thienylacetic acid, WLN: T56 BSJ D1VQ, Acetic acid, 3-benzo[b]thienyl-, 3-benzothienylacetic acid, AC1L2EVY, Maybridge1_007369, ACMC-2099hb, NCIOpen2_001520, Oprea1_783053, MLS000093716, 3-benzo[b]thienyl acetic acid, SCHEMBL1233284, 1-Benzothiophene-3-acetic acid, CHEMBL2138134, 1-Benzothiophen-3-ylacetic acid, Benzp[b]thiophene-3-acetic acid, CTK0H7108, HMS562G21, DTXSID70150283, benzo[b]-thiophene-3-acetic acid, HMS2174H22, HMS3446C14, ZINC101156, Benzo[b]thiophen-3-yl-acetic acid, AC1Q7525, KS-000029WL, NSC18875, NSC93635, STR09444, 2245AA, ANW-16557, CCG-52577, NSC-18875, NSC-93635, SBB079524, AKOS000282793, AM86322, MCULE-5976245234, PS-3254, VT20370, AJ-11094, LS-11047, SC-85245, SMR000029334, DB-041147, TX-010929, Benzo[b]thiophene-3-acetic acid, AldrichCPR, FT-0622691, ST50407926, EN300-43083, B-6462, I04-2994, SR-01000621926-2, C10H8O2S, C10-H8-O2-S, CID70799,

Complexity	205
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	2
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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