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848598-59-4 | Propanoic acid, 2-oxo-, diphenylmethyl ester
CAS No: 848598-59-4 Catalog No: AG004WO1 MDL No:
Product Description
Catalog Number:
AG004WO1
Chemical Name:
Propanoic acid, 2-oxo-, diphenylmethyl ester
CAS Number:
848598-59-4
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
benzhydryl 2-oxopropanoate
InChI:
InChI=1S/C16H14O3/c1-12(17)16(18)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3
InChI Key:
PTONPIMWLSQVBS-UHFFFAOYSA-N
SMILES:
O=C(C(=O)C)OC(c1ccccc1)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:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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