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Chemical ID: 5628961
Chemical ID:
5628961
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl but-2-enoate
SMILES [?]:
CC=CC(=O)OCc1cc(=O)oc2c1ccc(c2)OC
InChi [?]:
InChI=1/C15H14O5/c1-3-4-14(16)19-9-10-7-15(17)20-13-8-11(18-2)5-6-12(10)13/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,3,16,15,9,18,7,8,17,14,13,4,10,5,11,19,6,12/rA:20nCCCCOOCCCCOOCCCCCCOC/rB:s1;w2;s3;d4;s4;s6;s7;d8;s9;d10;s10;s12;s8s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62951 |
Area: | 472.309 |
Solvation: | -4.17823 |
Coulombic: | -45.3584 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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