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119838-69-6 | Benzoic acid, 4-acetyl-, phenylmethyl ester
CAS No: 119838-69-6 Catalog No: AG000PRA MDL No:
Product Description
Catalog Number:
AG000PRA
Chemical Name:
Benzoic acid, 4-acetyl-, phenylmethyl ester
CAS Number:
119838-69-6
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
benzyl 4-acetylbenzoate
InChI:
InChI=1S/C16H14O3/c1-12(17)14-7-9-15(10-8-14)16(18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
MJOALHSDHALYGJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)C)OCc1ccccc1
Properties
Complexity:
310
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:
3.7
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