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Chemical ID: 6733395
Chemical ID:
6733395
Name [?]:
1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
SMILES [?]:
COc1ccc(cc1OC)C2(CCCC2)C(=O)[O-]
InChi [?]:
InChI=1/C14H18O4/c1-17-11-6-5-10(9-12(11)18-2)14(13(15)16)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,13,14,5,4,12,15,7,6,3,8,16,11,17,18,2,9/E:(3,4)(7,8)(15,16)/rA:18nCOCCCCCCOCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s11s14;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17O4- |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.4202 |
Area: | 417.964 |
Solvation: | -43.8693 |
Coulombic: | -15.8631 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.282 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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