AG00ICWI

779-27-1 | 2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-

AG00ICWI

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CAS Number	779-27-1
Catalog Number	AG00ICWI(AGN-PC-0LQ6ZX)
Chemical Name	2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-
IUPAC Name	7-hydroxy-2-oxochromene-3-carboxylic acid
InChI	InChI=1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
InChI Key	LKLWLDOUZJEHDY-UHFFFAOYSA-N
MDL Number	MFCD00017491
Molecular Formula	C10H6O5
Molecular Weight	206.1516
NSC Number	115545
SMILES	OC(=O)C1=CC2=CC=C(O)C=C2OC1=O
Synonyms	7-hydroxycoumarin-3-carboxylic acid, 7-OHCCA, 7-Hydroxycoumarin-3-carboxylic acid, 779-27-1, 7-Hydroxy-2-oxo-2H-chromene-3-carboxylic acid, 3-Carboxy-7-hydroxycoumarin, 7-HYDROXYCOUMARIN-3-CARBOXYLICACID, 7-Hydroxy-2-oxochromene-3-carboxylic acid, Umbelliferone-3-carboxylic acid, LKLWLDOUZJEHDY-UHFFFAOYSA-N, 7-Hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid, 2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-, AK-86871, J-100177, 3-carboxyumbelliferone, PubChem16456, AC1NSPJ8, ACMC-1AW4Y, CBMicro_006719, AC1Q73VW, Oprea1_130366, Oprea1_196511, SCHEMBL37883, MLS003151715, CHEMBL104261, CTK1G8539, KS-00000FIL, ZINC58026, DTXSID20228527, HMS1622I11, SMSF0004210, 7-Hydroxy-Coumarin-3-Carboxylicacid, 7-Hydroxycoumarim-3-carboxylic acid, 2218AC, ANW-37128, MFCD00017491, NSC115545, STL512106, AKOS001775416, CB09022, MCULE-2824305550, NSC-115545, RP26212, AJ-09804, AN-47602, OR351002, SMR001856304, BIM-0006588.P001, 7-hydroxy-2-oxo-chromene-3-carboxylic acid, AX8110691, DB-075390, TC-125873, FT-0621431, ST50320040, 779H271, 7X-0812, SR-01000461429, I04-9766, SR-01000461429-1, F1018-0183, 7-Hydroxycoumarin-3-carboxylic acid, suitable for fluorescence, >=98.0% (TLC), nchembio.89-comp6, C10H6O5, C10-H6-O5, CID5337757, 2',7'-Dichlorodihydrofluorescein diacetate, H1352, 6-Hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid, 7-Hydroxy-2-oxo-2H-chromene-3-carboxylicacid, 56437-16-2, 5185-18-2,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.022g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	206.153g/mol
Monoisotopic Mass	206.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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