Chemical ID: 6423855

c1cc(c2c(c1O)CCCC2=O)O
Chemical ID:
6423855
Name [?]:
5,8-dihydroxytetralin-1-one
SMILES [?]:
c1cc(c2c(c1O)CCCC2=O)O
InChi [?]:
InChI=1/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,11,13H,1-3H2
InChi Info:
AuxInfo=1/0/N:9,8,10,1,2,5,6,11,3,4,7,12,13/rA:13nCCCCCCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s4s10;d11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.21629
Area:320.956
Solvation:-3.80761
Coulombic:-38.0739
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.185
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.66
LogP (Chemaxon):2.03

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Descriptor Annotations

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