AG002W9C

287193-07-1 | 2h-pyran-2-carboxylic acid, tetrahydro-4-oxo-, ethyl ester

AG002W9C

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CAS Number	287193-07-1
Catalog Number	AG002W9C(AGN-PC-0A2GAH)
Chemical Name	2h-pyran-2-carboxylic acid, tetrahydro-4-oxo-, ethyl ester
IUPAC Name	ethyl 4-oxooxane-2-carboxylate
InChI	InChI=1S/C8H12O4/c1-2-11-8(10)7-5-6(9)3-4-12-7/h7H,2-5H2,1H3
InChI Key	MECFFZNWFZDTRY-UHFFFAOYSA-N
MDL Number	MFCD20922879
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	CCOC(=O)C1CC(=O)CCO1
Synonyms	Ethyl 4-oxotetrahydro-2H-pyran-2-carboxylate, 287193-07-1, Ethyl 4-oxooxane-2-carboxylate, 4-Oxo-tetrahydro-pyran-2-carboxylic Acid Ethyl Ester, 2H-Pyran-2-carboxylic acid, tetrahydro-4-oxo-, ethyl ester, SCHEMBL5548895, DTXSID80708799, MECFFZNWFZDTRY-UHFFFAOYSA-N, KS-000008RX, MFCD20922879, DS-4337, FCH1606600, AK109446, SC-48934, AX8227033, DB-023434, CS-0049451, FT-0725160, ethyl 4-oxo-tetrahydro-2H-pyran-2-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	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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