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79877-07-9 | Ethanone, 1-(3-benzoyl-2-hydroxy-5-methylphenyl)-
CAS No: 79877-07-9 Catalog No: AG00551P MDL No:
Product Description
Catalog Number:
AG00551P
Chemical Name:
Ethanone, 1-(3-benzoyl-2-hydroxy-5-methylphenyl)-
CAS Number:
79877-07-9
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
1-(3-benzoyl-2-hydroxy-5-methylphenyl)ethanone
InChI:
InChI=1S/C16H14O3/c1-10-8-13(11(2)17)16(19)14(9-10)15(18)12-6-4-3-5-7-12/h3-9,19H,1-2H3
InChI Key:
DYKQOCSTRHWIBD-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)c2ccccc2)c(c(c1)C(=O)C)O
Properties
Complexity:
344
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:
1
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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