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Chemical ID: 5110575
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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