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Chemical ID: 6692903
Chemical ID:
6692903
Name [?]:
(hydroxy-(3-methylbut-2-enoxy)phosphoryl)oxyphosphonic acid
SMILES [?]:
CC(=CCOP(=O)(O)OP(=O)(O)O)C
InChi [?]:
InChI=1/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChi Info:
AuxInfo=1/1/N:1,14,3,4,2,11,12,13,7,8,5,9,10,6/E:(1,2)(6,7,8)(9,10)/rA:14cCCCCOPOOOPOOOC/rB:s1;d2;s3;s4;s5;d6;s6;s6;s9;d10;s10;s10;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H12O7P2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.05866 |
Area: | 396.617 |
Solvation: | -3.85676 |
Coulombic: | -89.4338 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.092 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -1.76 |
LogP (Chemaxon): | -0.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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