Chemical ID: 4575693

CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccccc3)C2=O
Chemical ID:
4575693
Name [?]:
(2-benzylidene-3-oxo-benzofuran-6-yl) 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccccc3)C2=O
InChi [?]:
InChI=1/C19H16O4/c1-12(2)19(21)22-14-8-9-15-16(11-14)23-17(18(15)20)10-13-6-4-3-5-7-13/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,18,20,17,21,8,9,15,12,2,16,7,10,11,14,22,4,23,5,6,13/E:(1,2)(4,5)(6,7)/rA:23nCCCCOOCCCCCCOCCCCCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3782
Area:522.309
Solvation:-2.67952
Coulombic:-37.3955
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:308.328
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):4.02

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Descriptor Annotations

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