AG003QEN

1846-76-0 | Ethyl Coumarin-3-carboxylate

AG003QEN

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CAS Number	1846-76-0
Catalog Number	AG003QEN(AGN-PC-0JKCIH)
Chemical Name	Ethyl Coumarin-3-carboxylate
IUPAC Name	ethyl 2-oxochromene-3-carboxylate
InChI	InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChI Key	XKHPEMKBJGUYCM-UHFFFAOYSA-N
MDL Number	MFCD00016964
Molecular Formula	C12H10O4
Molecular Weight	218.2054
NSC Number	620
SMILES	O=C(C(C1=O)=CC2=C(O1)C=CC=C2)OCC
UNII	27EAZ97E5V
Synonyms	ethyl 2-oxo-2H-chromene-3-carboxylate, 1846-76-0, Ethyl coumarin-3-carboxylate, Ethyl 2-oxo-2H-chromene-3-carboxylate, 3-Ethoxycarbonylcoumarin, Ethyl 3-coumarincarboxylate, 3-Carbethoxycoumarin, Coumarin-3-carboxylic acid ethyl ester, Ethylcoumarin-3-carboxylate, ethyl 2-oxochromene-3-carboxylate, 1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester, NSC 620, 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, ETHYL ESTER, BRN 0200147, UNII-27EAZ97E5V, 27EAZ97E5V, XKHPEMKBJGUYCM-UHFFFAOYSA-N, MFCD00016964, 2H-1-Benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester, thyl 3-coumarincarboxylate, aurora ka-28, 3-carboethoxycoumarin, ACMC-20akxo, PubChem8681, rarechem ab ka k001, Maybridge1_001094, AC1L26NO, AC1Q34AK, AC1Q34AL, ethyl-coumarin-3-carboxylate, CHEMBL591436, FC16, NSC620, SCHEMBL6243624, 2-OXO-2H, ETHYL ESTER, CTK4D8781, HMS544J16, XKHPEMKBJGUYCM-UHFFFAOYSA-, ZINC28114, DTXSID70171594, NSC-620, Ethyl 3-coumarincarboxylate, 99%, 6195AD, BBL019744, QC-377, STK721837, AKOS002664637, CCG-244048, MCULE-4205860758, PS-5756, SDCCGMLS-0065851.P001, VZ32189, AJ-08467, LS-39230, SC-62338, ST001289, ZB000818, Ethyl 2-oxo-2H-chromene-3-carboxylate #, AB0076384, DB-044537, ethyl 2-oxidanylidenechromene-3-carboxylate, TR-008522, E0992, FT-0625770, Propionic acid 2-oxo-2H-chromen-3-yl ester, ST24046885, 2-oxo-chromene-3-carboxylic acid ethyl ester, 1,2-benzopyran-2-one-3-carboxylicacid,ethylester, 2-oxo-1-benzopyran-3-carboxylic acid ethyl ester, A812880, AJ-333/36116059, J-011833, S14-1370, A3989/0169935, InChI=1/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3, Ethyl 3-umbelliferylcarboxylate, C12H10O4, CID15800, ACN-025614, C12-H10-O4, 5-18-08-00323 (Beilstein Handbook Reference), Ethyl coumarin-3-carboxylate, 98% - 1G 1g, A-7900, 6093-71-6,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.208g/mol
Monoisotopic Mass	218.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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