AG0016PB

122061-03-4 | Ethyl 3-Oxotetrahydro-2H-pyran-2-carboxylate

AG0016PB

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CAS Number	122061-03-4
Catalog Number	AG0016PB
Chemical Name	Ethyl 3-Oxotetrahydro-2H-pyran-2-carboxylate
IUPAC Name	ethyl 3-oxooxane-2-carboxylate
InChI	InChI=1S/C8H12O4/c1-2-11-8(10)7-6(9)4-3-5-12-7/h7H,2-5H2,1H3
InChI Key	NDFQAZPUWNIQNX-UHFFFAOYSA-N
MDL Number	MFCD24696375
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(C1C(CCCO1)=O)OCC
Synonyms	ethyl 3-oxotetrahydropyran-2-carboxylate, 122061-03-4, Ethyl 3-oxotetrahydro-2H-pyran-2-carboxylate, SCHEMBL7410703, KS-000008RJ, MFCD24696375, AKOS027254046, AS-51958, CS-0049481,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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