Chemical ID: 4170209

COc1ccc(cc1OC)C2(CCOCC2)C(=O)O
Chemical ID:
4170209
Name [?]:
4-(3,4-dimethoxyphenyl)tetrahydropyran-4-carboxylic acid
SMILES [?]:
COc1ccc(cc1OC)C2(CCOCC2)C(=O)O
InChi [?]:
InChI=1/C14H18O5/c1-17-11-4-3-10(9-12(11)18-2)14(13(15)16)5-7-19-8-6-14/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,12,16,13,15,7,6,3,8,17,11,18,19,2,9,14/E:(5,6)(7,8)(15,16)/rA:19nCOCCCCCCOCCCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s11s15;s11;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.19339
Area:426.642
Solvation:-6.47266
Coulombic:-48.2545
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:266.29
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.41
LogP (Chemaxon):1.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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