Chemical ID: 5110575

c1ccc(cc1)C=CC2CC=CC(=O)O2
Chemical ID:
5110575
Name [?]:
6-styryl-5,6-dihydropyran-2-one
SMILES [?]:
c1ccc(cc1)C=CC2CC=CC(=O)O2
InChi [?]:
InChI=1/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,10,12,7,8,4,9,13,14,15/E:(2,3)(5,6)/rA:15cCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;d11;s12;d13;s9s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.99554
Area:371.898
Solvation:-2.30191
Coulombic:-22.0089
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:200.233
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.88
LogP (Chemaxon):2.86

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