AG00IFVJ

89898-51-1 | 3-Furancarboxylic acid, tetrahydro-4-oxo-, ethyl ester

AG00IFVJ

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CAS Number	89898-51-1
Catalog Number	AG00IFVJ(AGN-PC-03GF2S)
Chemical Name	3-Furancarboxylic acid, tetrahydro-4-oxo-, ethyl ester
IUPAC Name	ethyl 4-oxooxolane-3-carboxylate
InChI	InChI=1S/C7H10O4/c1-2-11-7(9)5-3-10-4-6(5)8/h5H,2-4H2,1H3
InChI Key	BNXOKRMYIMMSKY-UHFFFAOYSA-N
MDL Number	MFCD16038834
Molecular Formula	C7H10O4
Molecular Weight	158.1519
SMILES	CCOC(=O)C1COCC1=O
Synonyms	Ethyl 4-oxotetrahydrofuran-3-carboxylate, 89898-51-1, Tetrahydro-4-oxo-3-furoic acid ethyl ester, 3-Furancarboxylic acid, tetrahydro-4-oxo-, ethyl ester, AK-82248, SCHEMBL2710439, CTK8C2069, KS-00000QHI, DTXSID50618654, BNXOKRMYIMMSKY-UHFFFAOYSA-N, 4919AC, ANW-67728, MFCD16038834, AKOS015995489, AB70736, CS-W001012, FCH1137027, ETHYL 4-OXOOXOLANE-3-CARBOXYLATE, DS-16538, Ethyl 4-oxo-tetrahydrofuran-3-carboxylate, SY046087, AX8236932, TC-156473, ST24047052, MFCD16038834 (95%), 3-Furancarboxylic acid,tetrahydro-4-oxo-,ethyl ester, C7H10O4, Ethyl4-oxotetrahydrofuran-3-carboxylate,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.153g/mol
Monoisotopic Mass	158.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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