AG000XL3

127956-11-0 | Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate

AG000XL3

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CAS Number	127956-11-0
Catalog Number	AG000XL3(AGN-PC-002B8T)
Chemical Name	Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate
IUPAC Name	methyl 4-oxooxane-3-carboxylate
InChI	InChI=1S/C7H10O4/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChI Key	SOWMVLQIMWETEK-UHFFFAOYSA-N
MDL Number	MFCD20921984
Molecular Formula	C7H10O4
Molecular Weight	158.1519
SMILES	COC(=O)C1COCCC1=O
Synonyms	127956-11-0, Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate, methyl 4-oxooxane-3-carboxylate, 2H-Pyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester, methyl 4-oxotetrahydropyran-3-carboxylate, ACMC-20adqj, Methyl tetrahydro-4H-pyran-4-one-3-carboxylate, SCHEMBL1617863, CTK0F6273, DTXSID90562788, SOWMVLQIMWETEK-UHFFFAOYSA-N, CS-D0214, 5386AA, ANW-68729, MFCD20921984, AKOS016005676, DS-2543, MCULE-9088923995, NE16702, SB22770, KS-0000011F, AK-65015, SC-73880, SY038671, ST2407262, TC-157474, 4CH-000209, Methyl 4-oxo-tetrahydro-pyran-3-carboxylate, MFCD20921984 (95%), Methyl 4-oxo-tetrahydro-2H-pyran-3-carboxylate, 4-Oxotetrahydropyran-3-carboxylic acid methyl ester, 2H-Pyran-3-carboxylic acid, tetrahydro-4-oxo-, met, 4-Oxo-tetrahydro-pyran-3-carboxylic acid methyl ester, Z1737971020, C7H10O4, methyl tetrahydro-4-oxo-2h-pyran-3-carboxylate,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.153g/mol
Monoisotopic Mass	158.058g/mol
Rotatable Bond Count	2
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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