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Chemical ID: 4367297
Chemical ID:
4367297
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2c(c(o3)C(=O)C)C
InChi [?]:
InChI=1/C15H12O4/c1-7-6-12(17)19-15-10(7)4-5-11-13(15)8(2)14(18-11)9(3)16/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,9,10,3,2,13,16,8,11,4,12,14,7,17,5,15,6/rA:19nCCCCOOCCCCCCCCOCOCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;d13;s11s14;s14;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47195 |
Area: | 418.959 |
Solvation: | -3.00204 |
Coulombic: | -34.3388 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.253 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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