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Chemical ID: 6693424
Chemical ID:
6693424
Name [?]:
(hydroxy-(3-methylbut-3-enoxy)phosphoryl)oxyphosphonic acid
SMILES [?]:
CC(=C)CCOP(=O)(O)OP(=O)(O)O
InChi [?]:
InChI=1/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChi Info:
AuxInfo=1/1/N:3,1,4,5,2,12,13,14,8,9,6,10,11,7/E:(6,7,8)(9,10)/rA:14cCCCCCOPOOOPOOO/rB:s1;d2;s2;s4;s5;s6;d7;s7;s7;s10;d11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H12O7P2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.79923 |
Area: | 397.313 |
Solvation: | -4.1336 |
Coulombic: | -89.4167 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.092 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -1.91 |
LogP (Chemaxon): | -0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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