AG0077L7

117620-77-6 | 3-Cyano-7-ethoxycoumarin

AG0077L7

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CAS Number	117620-77-6
Catalog Number	AG0077L7(AGN-PC-0JPOAR)
Chemical Name	3-Cyano-7-ethoxycoumarin
IUPAC Name	7-ethoxy-2-oxochromene-3-carbonitrile
InChI	InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3
InChI Key	YAFGHMIAFYQSCF-UHFFFAOYSA-N
MDL Number	MFCD00467359
Molecular Formula	C12H9NO3
Molecular Weight	215.2048
SMILES	N#CC1=CC=2C=CC(OCC)=CC2OC1=O
Synonyms	3-CETC, 3-cyano-7-ethoxycoumarin, 3-Cyano-7-ethoxycoumarin, 117620-77-6, 7-ethoxy-2-oxo-2h-chromene-3-carbonitrile, 7-ethoxy-2-oxochromene-3-carbonitrile, 7-Ethoxycoumarin-3-carbonitrile, 2H-1-Benzopyran-3-carbonitrile, 7-ethoxy-2-oxo-, 2H-1-Benzopyran-3-carbonitrile,7-ethoxy-2-oxo-, J-100086, 3-Cetc, ACMC-1BY0U, AC1Q4Q8Q, Oprea1_543395, SCHEMBL240958, AC1L4U36, CHEMBL1358287, CTK4B0352, ZINC58011, DTXSID00151844, EX-A581, YAFGHMIAFYQSCF-UHFFFAOYSA-N, BDBM189323, BCP14689, HY-D0055, KS-00001FD1, US9173935, CEC, 2868AA, ANW-58155, MFCD00467359, AKOS016002988, ACN-051060, CHM0023436, CS-4942, 7-ethoxy-2-oxo-chromene-3-carbonitrile, NCGC00165764-01, NCGC00165764-02, AJ-09799, AN-32935, OR351016, ZB002299, AX8086316, DB-004280, RT-010807, 3-Cyano-7-ethoxycoumarin, >=97% (HPLC), 7-ethoxy-2-oxo-1-benzopyran-3-carbonitrile, B7714, FT-0615548, ST50308905, A13365, 7-ethoxy-2-oxidanylidene-chromene-3-carbonitrile, 7-Ethoxy-2-oxo-2H-1-benzopyran-3-carbonitrile, 620C776, A807254, 3-Cyano-7-ethoxycoumarin, >=90% (at 254 nm, HPLC), 7-Ethoxycoumarin-3-carbonitrile, suitable for fluorescence, >=99.0% (HPLC), C12H9NO3, AR-1H3422, CID164045, ZINC00058011, C057714, 137-43-9,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.208g/mol
Monoisotopic Mass	215.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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