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Chemical ID: 4999862
Chemical ID:
4999862
Name [?]:
2-ethylhexoxyphosphonic acid
SMILES [?]:
CCCCC(CC)COP(=O)(O)O
InChi [?]:
InChI=1/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,4,8,5,11,12,13,9,10/E:(9,10,11)/rA:13cCCCCCCCCOPOOO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H19O4P |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 22.3703 |
Area: | 26.3146 |
Solvation: | 21.7124 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 210.208 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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