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Chemical ID: 6491521
Chemical ID:
6491521
Name [?]:
methyl 2-octoxybenzoate
SMILES [?]:
CCCCCCCCOc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C16H24O3/c1-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18-2/h8-9,11-12H,3-7,10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,4,5,6,13,12,7,14,11,8,15,10,16,17,18,9/rA:19nCCCCCCCCOCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78595 |
Area: | 516.939 |
Solvation: | -3.13752 |
Coulombic: | -29.2488 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 264.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.5 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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