Chemical ID: 5159244

c1ccc(cc1)C=C2C3CCCCC3C(=O)O2
Chemical ID:
5159244
Name [?]:
3-benzylidene-3a,4,5,6,7,7a-hexahydroisobenzofuran-1-one
SMILES [?]:
c1ccc(cc1)C=C2C3CCCCC3C(=O)O2
InChi [?]:
InChI=1/C15H16O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,7,4,9,14,8,15,16,17/E:(2,3)(6,7)/rA:17cCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;s11;s12;s9s13;s14;d15;s8s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.52889
Area:389.287
Solvation:-2.20329
Coulombic:-19.5814
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:228.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.46
LogP (Chemaxon):2.64

Name Annotations

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Descriptor Annotations

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