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Chemical ID: 6681804
Chemical ID:
6681804
Name [?]:
(4-butoxyphenyl)methanol
SMILES [?]:
CCCCOc1ccc(cc1)CO
InChi [?]:
InChI=1/C11H16O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,12H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,4,12,9,6,13,5/E:(4,5)(6,7)/rA:13nCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35277 |
Area: | 380.39 |
Solvation: | -3.15699 |
Coulombic: | -25.4982 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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