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Chemical ID: 4515312
Chemical ID:
4515312
Name [?]:
ethyl 7-diethylamino-2-oxo-chromene-3-carboxylate
SMILES [?]:
CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)OCC
InChi [?]:
InChI=1/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,21,2,4,20,8,7,10,16,9,6,11,15,17,12,3,18,13,19,14/E:(1,2)(4,5)/rA:21nCCNCCCCCCCCCOOCCCOOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;d12;s12;d9s14;d6s15;s11;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25074 |
Area: | 499.207 |
Solvation: | -3.22942 |
Coulombic: | -43.9902 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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