Chemical ID: 6733395

COc1ccc(cc1OC)C2(CCCC2)C(=O)[O-]
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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