Chemical ID: 4561541

CCC(C(=O)OCC)Oc1ccc2c(cc(=O)oc2c1C(=O)CC)C
Chemical ID:
4561541
Name [?]:
ethyl 2-(4-methyl-2-oxo-8-propanoyl-chromen-7-yl)oxybutanoate
SMILES [?]:
CCC(C(=O)OCC)Oc1ccc2c(cc(=O)oc2c1C(=O)CC)C
InChi [?]:
InChI=1/C19H22O6/c1-5-13(20)17-15(24-14(6-2)19(22)23-7-3)9-8-12-11(4)10-16(21)25-18(12)17/h8-10,14H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:24,1,8,25,23,2,7,12,11,15,14,13,21,3,10,16,20,19,4,22,17,5,6,9,18/rA:25cCCCCOOCCOCCCCCCCOOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3;s9;s10;d11;s12;s13;d14;s15;d16;s16;d13s18;d10s19;s20;d21;s21;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.56313
Area:554.997
Solvation:-5.31178
Coulombic:-52.6222
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.374
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.15
LogP (Chemaxon):3.19

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Descriptor Annotations

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