AG003NF3

80883-54-1 | 2-(7-(Dimethylamino)-2-oxo-2H-chromen-4-yl)acetic acid

AG003NF3

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CAS Number	80883-54-1
Catalog Number	AG003NF3(AGN-PC-0KKOYT)
Chemical Name	2-(7-(Dimethylamino)-2-oxo-2H-chromen-4-yl)acetic acid
IUPAC Name	2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
InChI	InChI=1S/C13H13NO4/c1-14(2)9-3-4-10-8(5-12(15)16)6-13(17)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChI Key	HQMBLJOHUDYJLK-UHFFFAOYSA-N
MDL Number	MFCD03094410
Molecular Formula	C13H13NO4
Molecular Weight	247.2466
SMILES	O=C(O)CC(C1=C(O2)C=C(N(C)C)C=C1)=CC2=O
Synonyms	80883-54-1, 7-DIMETHYLAMINOCOUMARIN-4-ACETIC ACID, 2-(7-(dimethylamino)-2-oxo-2H-chromen-4-yl)acetic acid, 7-(Dimethylamino)coumarin-4-acetic acid, Coumarin D 126, 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid, 7-(Dimethylamino)coumarin-4-aceticacid, AK-28083, 2-[7-(dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid, 2H-1-Benzopyran-4-acetic acid, 7-(dimethylamino)-2-oxo-, dmacacoumarin d 126, PubChem11624, 7-(Dimethylamino)coumarin-4-aceticacid(DMACA), AC1MC74G, Oprea1_682625, SCHEMBL259612, CTK3F0705, DTXSID30376341, HQMBLJOHUDYJLK-UHFFFAOYSA-N, KS-000000IS, ZINC5328759, 7-Dimethylaminocoumarin-4acetic acid, ANW-50605, MFCD00857826, AKOS015850802, CS-W021421, GS-4260, RP28776, TRA0041118, 7-(Dimethylamino)coumarine-4-Acetic Acid, AJ-53826, BR-28083, CC-23161, AB0026814, AX8110556, DB-075714, ST2409355, TR-025503, 4CH-006965, FT-0621399, W8559, 7-(dimethylamino)coumarin-4-acetic acid(dmaca), A19197, S-7257, [7-(dimethylamino)-2-oxochromen-4-yl]acetic acid, 7-(Dimethylamino)coumarin-4-acetic acid (DMACA), C-32974, J-519038, 2-Oxo-7-(dimethylamino)-2H-1-benzopyran-4-acetic acid, DMACA, C13H13NO4, CID2762622, 7-DIMETHYLAMINOCOUMARIN-4-ACETICACID, 2-(7-dimethylamino-2-oxo-chromen-4-yl)acetic Acid, 110952-70-0, 260782-41-0,

Complexity	389
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.084g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.25g/mol
Monoisotopic Mass	247.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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