Chemical ID: 4758739

CCCC(=O)OC1C(Oc2ccccc2C1=O)c3ccccc3
Chemical ID:
4758739
Name [?]:
(4-oxo-2-phenyl-chroman-3-yl) butanoate
SMILES [?]:
CCCC(=O)OC1C(Oc2ccccc2C1=O)c3ccccc3
InChi [?]:
InChI=1/C19H18O4/c1-2-8-16(20)23-19-17(21)14-11-6-7-12-15(14)22-18(19)13-9-4-3-5-10-13/h3-7,9-12,18-19H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,13,12,3,19,23,14,11,18,15,10,4,16,8,7,5,17,9,6/E:(4,5)(9,10)/rA:23cCCCCOOCCOCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;d16;s8;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.60789
Area:511.159
Solvation:-3.1711
Coulombic:-38.4803
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.344
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.01
LogP (Chemaxon):3.56

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Descriptor Annotations

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