AG000MK1

1246616-66-9 | 4H-Pyran-2,5-dicarboxylic acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl ester

AG000MK1

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CAS Number	1246616-66-9
Catalog Number	AG000MK1(AGN-PC-0WAK6X)
Chemical Name	4H-Pyran-2,5-dicarboxylic acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl ester
IUPAC Name	dimethyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate
InChI	InChI=1S/C16H14O7/c1-20-15(18)11-9-23-14(16(19)21-2)13(12(11)17)22-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key	REVROVKRCYLCAT-UHFFFAOYSA-N
MDL Number	MFCD28128927
Molecular Formula	C16H14O7
Molecular Weight	318.2782
SMILES	O=C1C(=C(OC=C1C(=O)OC)C(=O)OC)OCC1=CC=CC=C1
Synonyms	dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-dicarboxylate, 1246616-66-9, 4-Oxo-3-(phenylMethoxy)-4H-pyran-2,5-dicarboxylic acid 2,5-diMethyl ester, SCHEMBL2126483, KS-00000SDQ, MFCD28128927, 3-(benzyloxy)-4-oxo-4H-pyran-2,, AKOS027323535, ZINC118098611, AK315741, DS-11347, FT-0758438, diMethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-, dimethyl 4-oxo-3-phenylmethoxypyran-2,5-dicarboxylate, 2,5-dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-dicarboxylate, 4H-Pyran-2,5-dicarboxylic acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl ester, Dimethyl, 5-dicarboxylate, ACN-041360,

Complexity	553
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.074g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.281g/mol
Monoisotopic Mass	318.074g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	88.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

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