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Chemical ID: 6660394
Chemical ID:
6660394
Name [?]:
1-(p-tolyl)butan-1-ol
SMILES [?]:
CCCC(c1ccc(cc1)C)O
InChi [?]:
InChI=1/C11H16O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8,11-12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,3,7,9,6,10,8,5,4,12/E:(5,6)(7,8)/rA:12cCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.19667 |
Area: | 354.336 |
Solvation: | -1.66174 |
Coulombic: | -19.2451 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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