Chemical ID: 4732691

c1ccc(c(c1)C(=O)C=Cc2ccc3c(c2)OCO3)O
Chemical ID:
4732691
Name [?]:
3-benzo[1,3]dioxol-5-yl-1-(2-hydroxyphenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(c(c1)C(=O)C=Cc2ccc3c(c2)OCO3)O
InChi [?]:
InChI=1/C16H12O4/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,12,9,13,16,18,11,5,4,7,14,15,20,8,19,17/rA:20nCCCCCCCOCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.17208
Area:438.358
Solvation:-4.78687
Coulombic:-41.1894
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:268.264
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):4.06

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