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Chemical ID: 7678039
Chemical ID:
7678039
Name [?]:
None
SMILES [?]:
CC1(OC2=C(C3c4ccccc4OCC3CO2)C(=O)O1)C
InChi [?]:
InChI=1/C16H16O5/c1-16(2)20-14(17)13-12-9(8-19-15(13)21-16)7-18-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,9,10,8,11,14,16,15,7,12,6,5,18,4,2,19,13,17,20,3/E:(1,2)/rA:21cCCOCCCCCCCCCOCCCOCOOC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s6s14;s15;s4s16;s5;d18;s2s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O5 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.36567 |
Area: | 421.033 |
Solvation: | -4.16014 |
Coulombic: | -43.4263 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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