AG003Q8E

887411-85-0 | Ethyl-2-tetrahydrofurfuroyl-acetate

AG003Q8E

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CAS Number	887411-85-0
Catalog Number	AG003Q8E(AGN-PC-03VBN8)
Chemical Name	Ethyl-2-tetrahydrofurfuroyl-acetate
IUPAC Name	ethyl 3-oxo-3-(oxolan-2-yl)propanoate
InChI	InChI=1S/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
InChI Key	DVSIOGDCWXTPTK-UHFFFAOYSA-N
MDL Number	MFCD06410652
Molecular Formula	C9H14O4
Molecular Weight	186.2051
SMILES	O=C(OCC)CC(C1OCCC1)=O
Synonyms	887411-85-0, ethyl 3-oxo-3-(tetrahydrofuran-2-yl)propanoate, ETHYL 3-OXO-3-(2-TETRAHYDROFURYL)PROPANOATE, ETHYL-2-TETRAHYDROFURFUROYL-ACETATE, ETHYL 3-OXO-3-(TETRAHYDRO-2-FURANYL)PROPANOATE, SCHEMBL771677, KS-00000BLT, DVSIOGDCWXTPTK-UHFFFAOYSA-N, ZX-CM007444, 6744AJ, MFCD06410652, AKOS006294091, AB24798, RTR-005194, TRA0025179, TRA0048308, AK-83463, DS-17218, SY015215, AX8128514, DB-024448, Ethyl3-Oxo-3-(2-tetrahydrofuryl)propanoate, FT-0602027, ETHYL 3-OXO-3-(OXOLAN-2-YL)PROPANOATE, Y-2243, MFCD06410652 (95+%), 2-Furanpropanoic acid,tetrahydro-b-oxo-, ethyl ester, ETHYL 3-(TETRAHYDROFURAN-2-YL)-3-OXOPROPANOATE, C9H14O4, Ethyl 3-(2-furyl)-3-oxopropanoate, 6-bromo-2-cyclopropylquinoline-4-carboxylic acid, 13965-03-2,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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