AG001EUO

14736-31-3 | 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester

AG001EUO

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CAS Number	14736-31-3
Catalog Number	AG001EUO(AGN-PC-0JKJ31)
Chemical Name	4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester
EC Number	238-797-4
IUPAC Name	ethyl 4-oxochromene-2-carboxylate
InChI	InChI=1S/C12H10O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-7H,2H2,1H3
InChI Key	CJVFJZNWXDFXHF-UHFFFAOYSA-N
MDL Number	MFCD00250077
Molecular Formula	C12H10O4
Molecular Weight	218.2054
SMILES	CCOC(=O)C1=CC(=O)C2=CC=CC=C2O1
Synonyms	Ethyl 4-oxo-4H-chromene-2-carboxylate, 14736-31-3, ethyl 4-oxochromene-2-carboxylate, 2-(Ethoxycarbonyl)chromone, 4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 4-OXO-, ETHYL ESTER, Chromone-2-carboxylic acid ethyl ester, Ethylchromone-2-carboxylate, Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate, 4-Oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester, Ethyl chromone-2-carboxylate, EINECS 238-797-4, BRN 0178173, CJVFJZNWXDFXHF-UHFFFAOYSA-N, Maybridge3_001728, AC1L1C1H, CHEMBL164781, SCHEMBL3359780, CTK4C5386, KS-00001CEI, DTXSID80163687, Ethyl 4-oxochromen-2-carboxylate, HMS1435O12, ZINC116220, 7326AA, ANW-71576, MFCD00250077, SBB095566, AKOS016007296, ethyl4-oxo-4H-chromene-2-carboxylate, CCG-242391, MCULE-6263079623, IDI1_013115, AJ-11509, AS-40897, LS-39233, Ethyl 4-oxo-4H-chromene-2-carboxylate #, DB-032213, TC-160321, CS-0038062, FT-0708929, A-7398, AQ-917/33531002, J-008349, 4H-1-Benzopyran-2-carboxylicacid, 4-oxo-, ethyl ester, C12H10O4, CID26861, C12-H10-O4, 5-18-08-00312 (Beilstein Handbook Reference),

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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