Chemical ID: 7392603

c1ccc2c(c1)C(OC2=O)CC(=O)c3ccco3
Chemical ID:
7392603
Name [?]:
3-[2-(2-furyl)-2-oxo-ethyl]-3H-isobenzofuran-1-one
SMILES [?]:
c1ccc2c(c1)C(OC2=O)CC(=O)c3ccco3
InChi [?]:
InChI=1/C14H10O4/c15-11(12-6-3-7-17-12)8-13-9-4-1-2-5-10(9)14(16)18-13/h1-7,13H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,16,6,3,15,17,11,5,4,12,14,7,9,13,10,18,8/rA:18cCCCCCCCOCOCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s7;s11;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O4
All Atoms:28
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.53977
Area:421.232
Solvation:-3.99102
Coulombic:-35.0139
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.227
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.93
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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