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139266-64-1 | 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester
CAS No: 139266-64-1 Catalog No: AG001ALW MDL No:
Product Description
Catalog Number:
AG001ALW
Chemical Name:
2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester
CAS Number:
139266-64-1
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
methyl 2-(3-oxo-5-phenylfuran-2-yl)ethaneperoxoate
InChI:
InChI=1S/C13H12O5/c1-16-18-13(15)8-12-10(14)7-11(17-12)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
InChI Key:
QMYSMYLDXOENQY-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(O)OC(=CC1=O)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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