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20912-50-9

20912-50-9 | Benzaldehyde, 4-benzoyl-

CAS No: 20912-50-9 Catalog No: AG002K2D MDL No:

Product Description

Catalog Number:
AG002K2D
Chemical Name:
Benzaldehyde, 4-benzoyl-
CAS Number:
20912-50-9
Molecular Formula:
C14H10O2
Molecular Weight:
210.2280
IUPAC Name:
4-benzoylbenzaldehyde
InChI:
InChI=1S/C14H10O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-10H
InChI Key:
MLZBRARCTFICSV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)c1ccccc1

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.068g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.232g/mol
Monoisotopic Mass:
210.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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