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137871-27-3 | Benzaldehyde, 2,5-bis(benzoyloxy)-
CAS No: 137871-27-3 Catalog No: AG00140E MDL No:
Product Description
Catalog Number:
AG00140E
Chemical Name:
Benzaldehyde, 2,5-bis(benzoyloxy)-
CAS Number:
137871-27-3
Molecular Formula:
C21H14O5
Molecular Weight:
346.3329
IUPAC Name:
(4-benzoyloxy-3-formylphenyl) benzoate
InChI:
InChI=1S/C21H14O5/c22-14-17-13-18(25-20(23)15-7-3-1-4-8-15)11-12-19(17)26-21(24)16-9-5-2-6-10-16/h1-14H
InChI Key:
SRIFBMCSPSHVHT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.084g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.338g/mol
Monoisotopic Mass:
346.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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