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19820-51-0 | Benzaldehyde, 2-(benzoyloxy)-
CAS No: 19820-51-0 Catalog No: AG002BD5 MDL No:
Product Description
Catalog Number:
AG002BD5
Chemical Name:
Benzaldehyde, 2-(benzoyloxy)-
CAS Number:
19820-51-0
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
(2-formylphenyl) benzoate
InChI:
InChI=1S/C14H10O3/c15-10-12-8-4-5-9-13(12)17-14(16)11-6-2-1-3-7-11/h1-10H
InChI Key:
QXWQQPAHKZSMRJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OC(=O)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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