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Chemical ID: 5156956
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
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Experimental Annotations
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Descriptor Annotations
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