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20176-48-1 | Propiophenone, 4',4'''-methylenedi- (8CI)
CAS No: 20176-48-1 Catalog No: AG0027TU MDL No:
Product Description
Catalog Number:
AG0027TU
Chemical Name:
Propiophenone, 4',4'''-methylenedi- (8CI)
CAS Number:
20176-48-1
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
1-[4-[(4-propanoylphenyl)methyl]phenyl]propan-1-one
InChI:
InChI=1S/C19H20O2/c1-3-18(20)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(21)4-2/h5-12H,3-4,13H2,1-2H3
InChI Key:
GPKZUYMYXAPFFA-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)Cc1ccc(cc1)C(=O)CC
NSC Number:
37519
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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