Chemical ID: 5156956

CC1(Oc2ccccc2O1)C
Chemical ID:
5156956
Name [?]:
2,2-dimethylbenzo[1,3]dioxole
SMILES [?]:
CC1(Oc2ccccc2O1)C
InChi [?]:
InChI=1/C9H10O2/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,6,7,5,8,4,9,2,3,10/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:11nCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.7097
Area:299.154
Solvation:-1.76914
Coulombic:-17.8894
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):2.37

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