Chemical ID: 6710328

c1cc2c(cc(=O)oc2cc1O)CC(=O)[O-]
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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