Chemical ID: 7089903

COc1cccc(c1)C(=O)C2CCCCC2C(=O)O
Chemical ID:
7089903
Name [?]:
2-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
COc1cccc(c1)C(=O)C2CCCCC2C(=O)O
InChi [?]:
InChI=1/C15H18O4/c1-19-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15(17)18/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,5,6,4,12,15,8,7,3,11,16,9,17,10,18,19,2/E:(17,18)/rA:19cCOCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18O4
All Atoms:37
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:6.03435
Area:426.965
Solvation:-4.63978
Coulombic:-40.7542
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.301
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.53
LogP (Chemaxon):2.31

Name Annotations

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Descriptor Annotations

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