Chemical ID: 6530084

Cc1cc(cc(c1)O)O
Chemical ID:
6530084
Name [?]:
5-methylbenzene-1,3-diol
SMILES [?]:
Cc1cc(cc(c1)O)O
InChi [?]:
InChI=1/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,5,2,4,6,9,8/E:(2,3)(6,7)(8,9)/rA:9nCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.41684
Area:272.951
Solvation:-2.40693
Coulombic:-32.2059
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:124.137
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.65
LogP (Chemaxon):1.94

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