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1246616-66-9 | 4H-Pyran-2,5-dicarboxylic acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl ester
CAS No: 1246616-66-9 Catalog No: AG000MK1 MDL No:
Product Description
Catalog Number:
AG000MK1
Chemical Name:
4H-Pyran-2,5-dicarboxylic acid, 4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl ester
CAS Number:
1246616-66-9
Molecular Formula:
C16H14O7
Molecular Weight:
318.2782
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
SMILES:
COC(=O)c1occ(c(=O)c1OCc1ccccc1)C(=O)OC
Properties
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
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