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139266-65-2 | 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-5-(4-methylphenyl)-3-oxo-, methyl ester
CAS No: 139266-65-2 Catalog No: AG001ALV MDL No:
Product Description
Catalog Number:
AG001ALV
Chemical Name:
2-Furanacetic acid, 2,3-dihydro-2-hydroxy-5-(4-methylphenyl)-3-oxo-, methyl ester
CAS Number:
139266-65-2
Molecular Formula:
C14H14O5
Molecular Weight:
262.2580
IUPAC Name:
methyl 2-[5-(4-methylphenyl)-3-oxofuran-2-yl]ethaneperoxoate
InChI:
InChI=1S/C14H14O5/c1-9-3-5-10(6-4-9)12-7-11(15)13(18-12)8-14(16)19-17-2/h3-7,13H,8H2,1-2H3
InChI Key:
MFLXSEBIOBDWRU-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(O)OC(=CC1=O)c1ccc(cc1)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.261g/mol
Monoisotopic Mass:
262.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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