Chemical ID: 4574499

CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)O
Chemical ID:
4574499
Name [?]:
2-[(4-ethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C17H14O4/c1-2-20-13-6-3-11(4-7-13)9-16-17(19)14-8-5-12(18)10-15(14)21-16/h3-10,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,16,5,9,15,10,18,7,17,4,14,19,11,12,21,13,3,20/E:(3,4)(6,7)/rA:21nCCOCCCCCCCCCOCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.70465
Area:470.601
Solvation:-4.06039
Coulombic:-41.222
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:282.291
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.56
LogP (Chemaxon):3.14

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