AG003Q8F

856414-68-1 | 3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER

AG003Q8F

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CAS Number	856414-68-1
Catalog Number	AG003Q8F(AGN-PC-03ZQGC)
Chemical Name	3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER
IUPAC Name	ethyl 3-(oxan-4-yl)-3-oxopropanoate
InChI	InChI=1S/C10H16O4/c1-2-14-10(12)7-9(11)8-3-5-13-6-4-8/h8H,2-7H2,1H3
InChI Key	HJFKRDIPKNVADD-UHFFFAOYSA-N
MDL Number	MFCD04115573
Molecular Formula	C10H16O4
Molecular Weight	200.2316
SMILES	O=C(OCC)CC(C1CCOCC1)=O
Synonyms	856414-68-1, 3-Oxo-3-(tetrahydro-pyran-4-yl)-propionic acid ethyl ester, ETHYL 3-OXO-3-(4-TETRAHYDROPYRANYL)PROPANOATE, Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate, ETHYL 3-(OXAN-4-YL)-3-OXOPROPANOATE, SCHEMBL771683, CTK5F5399, KS-00000BKN, DTXSID60630963, HJFKRDIPKNVADD-UHFFFAOYSA-N, ZINC2527671, KM2338, MFCD04115573, AKOS014670197, AB20261, RP00024, AJ-38110, AK-83443, AS-31115, BP-10450, OR451223, SY014426, AX8211109, DB-076385, TC-308257, FT-0765040, Y4298, O57051, MFCD04115573 (95+%), J-520899, ETHYL3-OXO-3-(4-TETRAHYDROPYRANYL)PROPANOATE, I14-12836, 3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPANOIC ACID ETHYL ESTER, C10H16O4, 14264-16-5,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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