AG00BZSZ

388109-26-0 | Tetrahydro-3-oxo-2H-pyran-4-carboxylic acid ethyl ester

AG00BZSZ

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CAS Number	388109-26-0
Catalog Number	AG00BZSZ(AGN-PC-0WAL4Y)
Chemical Name	Tetrahydro-3-oxo-2H-pyran-4-carboxylic acid ethyl ester
IUPAC Name	ethyl 3-oxooxane-4-carboxylate
InChI	InChI=1S/C8H12O4/c1-2-12-8(10)6-3-4-11-5-7(6)9/h6H,2-5H2,1H3
InChI Key	APAWJCZGOJKZPB-UHFFFAOYSA-N
MDL Number	MFCD19440853
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(C1C(COCC1)=O)OCC
Synonyms	ETHYL 3-OXOTETRAHYDRO-2H-PYRAN-4-CARBOXYLATE, 388109-26-0, Tetrahydro-3-oxo-2H-pyran-4-carboxylic acid ethyl ester, ethyl 3-oxooxane-4-carboxylate, SCHEMBL6349134, DTXSID80612726, APAWJCZGOJKZPB-UHFFFAOYSA-N, MFCD19440853, FCH1563439, AK173051, AS-37092, OR313076, AB0075548, AX8266747, CS-0055050, FT-0742065, X-2626, 3-oxo-tetrahydro-pyran-4-carboxylic acid ethyl ester, 2H-Pyran-4-carboxylic acid, tetrahydro-3-oxo-, ethyl ester, ethyl tetrahydro-3-oxo-2H-pyran-4-carboxylate,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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