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139122-15-9 | Benzaldehyde, 2-[2-(benzoyloxy)ethyl]-
CAS No: 139122-15-9 Catalog No: AG001ABN MDL No:
Product Description
Catalog Number:
AG001ABN
Chemical Name:
Benzaldehyde, 2-[2-(benzoyloxy)ethyl]-
CAS Number:
139122-15-9
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
2-(2-formylphenyl)ethyl benzoate
InChI:
InChI=1S/C16H14O3/c17-12-15-9-5-4-6-13(15)10-11-19-16(18)14-7-2-1-3-8-14/h1-9,12H,10-11H2
InChI Key:
LSCDNSSTVXTPDM-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CCOC(=O)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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