Chemical ID: 7048090

c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4
Chemical ID:
7048090
Name [?]:
(2-benzylidene-3-oxo-benzofuran-6-yl) cyclopropanecarboxylate
SMILES [?]:
c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4
InChi [?]:
InChI=1/C19H14O4/c20-18-15-9-8-14(22-19(21)13-6-7-13)11-16(15)23-17(18)10-12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,22,23,13,12,7,15,4,21,14,11,16,8,9,19,10,20,18,17/E:(2,3)(4,5)(6,7)/rA:23nCCCCCCCCCOCCCCCCOOCOCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;d19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14O4
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2486
Area:519.391
Solvation:-2.73613
Coulombic:-37.0449
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:306.312
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.62
LogP (Chemaxon):3.52

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Descriptor Annotations

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