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Chemical ID: 7048090
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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