AG003NFN

6950-82-9 | 2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)acetic acid

AG003NFN

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CAS Number	6950-82-9
Catalog Number	AG003NFN(AGN-PC-0WAFWJ)
Chemical Name	2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)acetic acid
IUPAC Name	2-(7-hydroxy-2-oxochromen-4-yl)acetic acid
InChI	InChI=1S/C11H8O5/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5,12H,3H2,(H,13,14)
InChI Key	BNHPMQBVNXMPDU-UHFFFAOYSA-N
MDL Number	MFCD00037563
Molecular Formula	C11H8O5
Molecular Weight	220.1782
SMILES	C(C(=O)O)c1c2c(oc(=O)c1)cc(cc2)O
Synonyms	7-HCA cpd, 7-hydroxycoumarin-4-acetic acid, 7-hydroxycoumarin-4-acetic acid, monosodium salt, 7-Hydroxycoumarin-4-acetic acid, 6950-82-9, 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid, Umbelliferone-4-acetic acid, 7-Hydroxy-2-oxo-2H-1-benzopyran-4-acetic acid, CHEMBL12253, 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid, 7-Hydroxy-4-coumarinylacetic acid, BNHPMQBVNXMPDU-UHFFFAOYSA-N, 2H-1-Benzopyran-4-acetic acid, 7-hydroxy-2-oxo-, (7-hydroxycoumarin-4-yl)acetic acid, NSC642907, 7-Hydroxycoumarinyl-4-acetic acid, 97%, 2H-1-Benzopyran-4-aceticacid, 7-hydroxy-2-oxo-, 7-Hca cpd, NSC65625, zlchem 418, AC1NSR7P, ACMC-1BA4W, NCIOpen2_003061, Oprea1_344287, Oprea1_675178, SCHEMBL263980, 7-Hydroxycoumarin-4acetic acid, IFLab1_004900, 7-hydroxy-4-coumarinacetic acid, CTK2F5210, KS-00000GHX, ZLC0273, 7-hydroxy-coumarin-4-acetic acid, 7-Hydroxycoumarin-4-ylacetic acid, HMS1425O16, ZINC153920, 7-Hydroxyl-coumarin-4-acetic acid, ALBB-015615, 8284AE, BDBM50022182, MFCD00037563, NSC-65625, SBB065747, STK408788, (7-hydroxycoumarin-4-yl) acetic acid, AKOS005175214, MCULE-6299044943, NSC-642907, TRA0026235, IDI1_010655, AK307577, DS-11403, (7-hydroxy-2-oxochromen-4-yl)acetic acid, AB0070761, DB-055289, TR-023124, FT-0636308, ST50319902, (7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid, 2-(7-hydroxy-2-oxo-chromen-4-yl)acetic acid, A21440, C-5409, H-4555, 2-Oxo-7-hydroxy-2H-1-benzopyran-4-acetic acid, (7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetic acid, I04-0105, J-100175, 7-HYDROXY-2-OXO-2H-1-BENZOPYRAN-4-ACETICACID, F1083-0012, 21392-45-0, C11H8O5, C11-H8-O5, CID5338490, H1501, 110-95-2,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.037g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	220.18g/mol
Monoisotopic Mass	220.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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