AG001CTQ

1408075-77-3 | 2H-Pyran-2-carboxylic acid, tetrahydro-5-oxo-, ethyl ester

AG001CTQ

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CAS Number	1408075-77-3
Catalog Number	AG001CTQ(AGN-PC-0WBS7Q)
Chemical Name	2H-Pyran-2-carboxylic acid, tetrahydro-5-oxo-, ethyl ester
IUPAC Name	ethyl 5-oxooxane-2-carboxylate
InChI	InChI=1S/C8H12O4/c1-2-11-8(10)7-4-3-6(9)5-12-7/h7H,2-5H2,1H3
InChI Key	LUBZMSYQUPSNNY-UHFFFAOYSA-N
MDL Number	MFCD23106049
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(C1CCC(CO1)=O)OCC
Synonyms	1408075-77-3, ethyl 5-oxooxane-2-carboxylate, ethyl 5-oxotetrahydro-2h-pyran-2-carboxylate, Ethyl 5-oxo-tetrahydro-pyran-2-carboxylate, SCHEMBL17802918, MFCD23106049, AKOS025290344, FCH2311239, PB36315, SB20779, KS-000007K8, Ethyl 5-oxotetrahydropyran-2-carboxylate, AK172562, AS-51807, CS-0049432, Q-4789, 2H-Pyran-2-carboxylic acid, tetrahydro-5-oxo-, ethyl ester,

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	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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