AG006WC1

4865-84-3 | 2-(1,2-Benzisoxazol-3-yl)acetic acid

AG006WC1

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CAS Number	4865-84-3
Catalog Number	AG006WC1(AGN-PC-0JOMNE)
Chemical Name	2-(1,2-Benzisoxazol-3-yl)acetic acid
EC Number	610-430-6
IUPAC Name	2-(1,2-benzoxazol-3-yl)acetic acid
InChI	InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
InChI Key	BVSIAYQIMUUCRW-UHFFFAOYSA-N
MDL Number	MFCD02180388
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
NSC Number	179803
SMILES	O=C(O)CC1=NOC2=C1C=CC=C2
Synonyms	4865-84-3, 2-(1,2-Benzisoxazol-3-yl)acetic acid, 1,2-Benzisoxazole-3-acetic Acid, 1,2-benzisoxazol-3-ylacetic acid, 2-(1,2-benzoxazol-3-yl)acetic acid, 2-(benzo[d]isoxazol-3-yl)acetic acid, CHEMBL3792472, 1,2-benzoxazol-3-ylacetic acid, 2-(1,2-Benzoxazol-3-Yl)ethanoic Acid, 2-benzo[d]isoxazol-3-ylacetic acid, NVU, NSC179803, zlchem 388, PubChem8653, 2-(1,2-Benzisoxazol-3-yl)aceticacid, ACMC-1CTWL, Maybridge1_005391, Oprea1_695883, SCHEMBL75124, AC1L6Z16, BEN014, CTK1D5750, HMS556N01, DTXSID80306794, EBD8849, ZLC0234, BVSIAYQIMUUCRW-UHFFFAOYSA-N, 1,2-benzisoxazol-3yl-acetic acid, benzo[d]isoxazol-3-yl-acetic acid, ZINC161692, ACT05712, KS-000010JA, ANW-30685, BDBM50162495, CB-463, CCG-44972, FC0651, MFCD02180388, SBB053422, 2-benzo[d]isoxazol-3-yl-acetic acid, 3-(Carboxymethyl)-1,2-benzisoxazole, AKOS001105745, LS41523, MCULE-4494939468, NSC-179803, RP03037, RTR-017723, SDCCGMLS-0066152.P001, TRA0090391, VZ20387, 2-(benzo[d]isoxazol-3-yl)-acetic acid, AC-22758, AC-27285, AJ-15792, SC-65108, (1,2-Benzisoxazol-3-yl)acetic acid 97%, AB0008592, AB1004763, DB-010704, DB-049825, ST2403781, TL8003270, TR-017723, B2912, FT-0608352, ST50949653, A-3144, AE-508/09521058, 1,2-Benzisoxazole-3-Acetic Acid (For Zonisamide), 10W-0718, J-506217, S04-0056, SR-01000634770-1, Z99600464, F2190-0005, null, Urea phosphate salt, 2- aceticacid, C9H7NO3, 1,2-Benzisoxazole-3-aceticacid, 1,2-benzisoxazol-3-yl acetic acid, CID301729, ACN-001696, 37924-67-7, A7347, 109-65-9,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number