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Chemical ID: 4557129
Chemical ID:
4557129
Name [?]:
2-phosphonatooxyprop-2-enoate
SMILES [?]:
C=C(C(=O)[O-])OP(=O)([O-])[O-]
InChi [?]:
InChI=1/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-3
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,8,9,10,6,7/E:(4,5)(6,7,8)/rA:10nCCCOO-OPOO-O-/rB:d1;s2;d3;s3;s2;s6;d7;s7;s7;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3H2O6P-3 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -242.174 |
Area: | 291.33 |
Solvation: | -249.457 |
Coulombic: | 151.821 |
Bond Count [?]
All: | 9 |
Single: | 6 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.018 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -1.78 |
LogP (Chemaxon): | -0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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