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Chemical ID: 6710328
Chemical ID:
6710328
Name [?]:
2-(7-hydroxy-2-oxo-chromen-4-yl)acetate
SMILES [?]:
c1cc2c(cc(=O)oc2cc1O)CC(=O)[O-]
InChi [?]:
InChI=1/C11H8O5/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5,12H,3H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,5,10,4,11,3,9,14,6,12,15,16,7,8/E:(13,14)/rA:16nCCCCCCOOCCCOCCOO-/rB:s1;d2;s3;d4;s5;d6;s6;s3s8;d9;d1s10;s11;s4;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7O5- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.1102 |
Area: | 376.742 |
Solvation: | -42.5287 |
Coulombic: | -35.4879 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 219.17 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.23 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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