Chemical ID: 6913622

c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCCC2
Chemical ID:
6913622
Name [?]:
5-(tetralin-2-yloxymethyl)furan-2-carboxylic acid
SMILES [?]:
c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCCC2
InChi [?]:
InChI=1/C16H16O4/c17-16(18)15-8-7-14(20-15)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4,10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:19,18,20,17,2,1,10,11,5,8,3,4,6,9,12,14,15,16,7,13/E:(17,18)/rA:20nCCCCCCOCCCCCOCOOCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;s9s12;s12;d14;s14;s4;s17;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.024
Area:472.169
Solvation:-3.78022
Coulombic:-44.3989
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):3.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue