Chemical ID: 6850706

Cc1cc(c2c(c1)c(=O)cc(o2)c3ccccc3C(=O)[O-])C
Chemical ID:
6850706
Name [?]:
2-(6,8-dimethyl-4-oxo-chromen-2-yl)benzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)cc(o2)c3ccccc3C(=O)[O-])C
InChi [?]:
InChI=1/C18H14O4/c1-10-7-11(2)17-14(8-10)15(19)9-16(22-17)12-5-3-4-6-13(12)18(20)21/h3-9H,1-2H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,15,16,14,17,3,7,10,2,4,13,18,6,8,11,5,19,9,20,21,12/E:(20,21)/rA:22nCCCCCCCCOCCOCCCCCCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13O4-
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-31.1724
Area:461.568
Solvation:-42.7116
Coulombic:-12.7036
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.293
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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