Chemical ID: 7324140

COC(=O)c1ccc(cc1)C=CC(=O)c2ccc(cc2)OCC#N
Chemical ID:
7324140
Name [?]:
methyl 4-[3-[4-(cyanomethoxy)phenyl]-3-oxo-prop-1-enyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=CC(=O)c2ccc(cc2)OCC#N
InChi [?]:
InChI=1/C19H15NO4/c1-23-19(22)16-5-2-14(3-6-16)4-11-18(21)15-7-9-17(10-8-15)24-13-12-20/h2-11H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,11,6,10,16,20,17,19,12,23,22,8,15,5,18,13,3,24,14,4,2,21/E:(2,3)(5,6)(7,8)(9,10)/rA:24nCOCOCCCCCCCCCOCCCCCCOCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.41949
Area:574.771
Solvation:-4.94978
Coulombic:-40.0995
Bond Count [?]
All:25
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:321.327
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.19
LogP (Chemaxon):3.19

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Descriptor Annotations

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