Chemical ID: 6692903

CC(=CCOP(=O)(O)OP(=O)(O)O)C
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

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Descriptor Annotations

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