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Chemical ID: 6423855
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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