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Chemical ID: 5120128
Chemical ID:
5120128
Name [?]:
1-methoxy-2-tert-butyl-benzene
SMILES [?]:
CC(C)(C)c1ccccc1OC
InChi [?]:
InChI=1/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,7,8,6,9,5,10,2,11/E:(1,2,3)/rA:12nCCCCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.64086 |
Area: | 327.991 |
Solvation: | -1.55892 |
Coulombic: | -9.54436 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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