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125507-91-7 | Propanedial, 2-[1,1'-biphenyl]-4-yl-
CAS No: 125507-91-7 Catalog No: AG000NR6 MDL No:MFCD03426049
Product Description
Catalog Number:
AG000NR6
Chemical Name:
Propanedial, 2-[1,1'-biphenyl]-4-yl-
CAS Number:
125507-91-7
Molecular Formula:
C15H12O2
Molecular Weight:
224.2546
MDL Number:
MFCD03426049
IUPAC Name:
2-(4-phenylphenyl)propanedial
InChI:
InChI=1S/C15H12O2/c16-10-15(11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15H
InChI Key:
XUUQGMCYFDBDJI-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)c1ccccc1)C=O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.259g/mol
Monoisotopic Mass:
224.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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