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Chemical ID: 5045644
Chemical ID:
5045644
Name [?]:
1-butoxyindan-2-ol
SMILES [?]:
CCCCOC1c2ccccc2CC1O
InChi [?]:
InChI=1/C13H18O2/c1-2-3-8-15-13-11-7-5-4-6-10(11)9-12(13)14/h4-7,12-14H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,11,8,4,13,12,7,14,6,15,5/rA:15cCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.72917 |
Area: | 397.93 |
Solvation: | -4.21908 |
Coulombic: | -25.5413 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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