Chemical ID: 4260607

c1ccc(cc1)C=CC=O
Chemical ID:
4260607
Name [?]:
3-phenylprop-2-enal
SMILES [?]:
c1ccc(cc1)C=CC=O
InChi [?]:
InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,8,3,5,7,9,4,10/E:(2,3)(5,6)/rA:10nCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.63015
Area:295.92
Solvation:-1.76784
Coulombic:-9.23833
Bond Count [?]
All:10
Single:5
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:132.159
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.99
LogP (Chemaxon):1.74

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Experimental Annotations

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Descriptor Annotations

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