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150258-60-9 | Benzoic acid, 5-formyl-2-(phenylmethoxy)-, phenylmethyl ester
CAS No: 150258-60-9 Catalog No: AG001MFX MDL No:
Product Description
Catalog Number:
AG001MFX
Chemical Name:
Benzoic acid, 5-formyl-2-(phenylmethoxy)-, phenylmethyl ester
CAS Number:
150258-60-9
Molecular Formula:
C22H18O4
Molecular Weight:
346.3759
IUPAC Name:
benzyl 5-formyl-2-phenylmethoxybenzoate
InChI:
InChI=1S/C22H18O4/c23-14-19-11-12-21(25-15-17-7-3-1-4-8-17)20(13-19)22(24)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI Key:
OCJAGRYUKAWYQD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.382g/mol
Monoisotopic Mass:
346.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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