AG00330C

487-66-1 | 2,5-Dihydro-4-methyl-2,5-dioxo-3-furanpropanoic Acid

AG00330C

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CAS Number	487-66-1
Catalog Number	AG00330C(AGN-PC-0NH9DV)
Chemical Name	2,5-Dihydro-4-methyl-2,5-dioxo-3-furanpropanoic Acid
IUPAC Name	3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
InChI	InChI=1S/C8H8O5/c1-4-5(2-3-6(9)10)8(12)13-7(4)11/h2-3H2,1H3,(H,9,10)
InChI Key	FWBJLYXRIRBVQG-UHFFFAOYSA-N
MDL Number	MFCD18252872
Molecular Formula	C8H8O5
Molecular Weight	184.1461
SMILES	CC1=C(C(OC1=O)=O)CCC(=O)O
Synonyms	487-66-1, 2,5-Dihydro-4-methyl-2,5-dioxo-3-furanpropanoic Acid, 3-(4-Methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoic acid, 2-(2-Carboxyethyl)-3-methylmaleic Anhydride, 3-Furanpropanoic acid, 2,5-dihydro-4-methyl-2,5-dioxo-, ACMC-209kdy, 3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid, SCHEMBL733215, CHEMBL2270563, CTK8B1737, DTXSID50457909, KS-000015FR, ANW-30692, MFCD18252872, ZINC98081909, AKOS022505457, AK549871, TC-119437, D3955, 2,5-Dihydro-4-methyl-2,5-dioxo-3-furanpropanoicAcid, I14-58538, 3-(2,5-Dihydro-2,5-dioxo-4-methylfuran-3-yl)propanoic acid, CID11183025, 3-(4-methyl-2,5-dioxo-3-furyl)propanoic Acid,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.037g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.147g/mol
Monoisotopic Mass	184.037g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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