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ScientificNameLabel
2-Phenyl benzaldehyde
PHCD compound ID : 5386
Chemical Names :
2-Phenyl benzaldehyde
Molecular Formula : C13H10O1
Molecular Weight : 182.073165
More Details :
Names & Synonyms: 2-phenylbenzaldehyde
Smiles: O=Cc1ccccc1c1ccccc1
InChi : InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H
InChi Key : InChIKey=LCRCBXLHWTVPEQ-UHFFFAOYSA-N
PubChem ID : 121052
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.891210
Hydrogen bond donor count : 0 Electric dipole moment : 3.230
XLogP : 2.899 VDW volume : 177.226357
Molecular weight : 182.073165 HOMO-LUMO gap : 9.235000
Herb list :
Refrences & Litretures:
  
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
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