1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-oxo-3-phenylmethoxypyran-2-carboxylate

2.1.2 InChI

InChI=1S/C14H12O5/c1-17-14(16)13-12(11(15)7-8-18-13)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3

2.1.3 InChI Key

ALZICFZRRUCCCD-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1332855-89-6

2. 3-benzyloxy-4-oxo-4h-pyran-2-carboxylic Acid Methyl Ester

3. Methyl 4-oxo-3-phenylmethoxypyran-2-carboxylate

4. Schembl4545464

5. Wlz3558

6. Mfcd32689429

7. Sy346117

8. Db-136463

9. Cs-0064065

10. E80930

2.3 Create Date

2015-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂O₅
Molecular Weight	260.24 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	61.8
Heavy Atom Count	19
Formal Charge	0
Complexity	416
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Methyl 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylate