Chemical ID: 5111241

CC1CCc2c1c(ccc2O)O
Chemical ID:
5111241
Name [?]:
1-methylindane-4,7-diol
SMILES [?]:
CC1CCc2c1c(ccc2O)O
InChi [?]:
InChI=1/C10H12O2/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h4-6,11-12H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,8,2,5,10,7,6,11,12/rA:12cCCCCCCCCCCOO/rB:s1;s2;s3;s4;s2s5;d6;s7;d8;d5s9;s10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.61689
Area:313.482
Solvation:-2.22016
Coulombic:-32.5529
Bond Count [?]
All:13
Single:10
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.76
LogP (Chemaxon):2.64

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