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Chemical ID: 4115510
Chemical ID:
4115510
Name [?]:
dodecoxyphosphonic acid
SMILES [?]:
CCCCCCCCCCCCOP(=O)(O)O
InChi [?]:
InChI=1/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,15,16,17,13,14/E:(13,14,15)/rA:17nCCCCCCCCCCCCOPOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H27O4P |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5974 |
Area: | 525.607 |
Solvation: | -2.54279 |
Coulombic: | -55.3716 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 266.314 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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