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Chemical ID: 4705940
Chemical ID:
4705940
Name [?]:
None
SMILES [?]:
CC1(OC(=O)C2(Cc3ccccc3C2)C(=O)O1)C
InChi [?]:
InChI=1/C14H14O4/c1-13(2)17-11(15)14(12(16)18-13)7-9-5-3-4-6-10(9)8-14/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,10,11,9,12,7,14,8,13,4,15,2,6,5,16,3,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)/rA:18nCCOCOCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6s13;s6;d15;s2s15;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50879 |
Area: | 401.767 |
Solvation: | -2.53539 |
Coulombic: | -37.3357 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 246.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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