Chemical ID: 6918099

COC1=CC(=O)OC(C1)C=CC2=CCCC=C2
Chemical ID:
6918099
Name [?]:
6-[2-(1-cyclohexa-1,5-dienyl)vinyl]-4-methoxy-5,6-dihydropyran-2-one
SMILES [?]:
COC1=CC(=O)OC(C1)C=CC2=CCCC=C2
InChi [?]:
InChI=1/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h3,5-8,10,12H,2,4,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,13,11,10,9,4,12,8,3,5,6,2,7/rA:17cCOCCCOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;s8;w10;s11;d12;s13;s14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O3
All Atoms:33
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.43465
Area:431.9
Solvation:-3.36284
Coulombic:-27.2596
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:232.275
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):1.07

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