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Chemical ID: 6406313
Chemical ID:
6406313
Name [?]:
3-(ethoxy-methyl-phosphoryl)propanoic acid
SMILES [?]:
CCOP(=O)(C)CCC(=O)O
InChi [?]:
InChI=1/C6H13O4P/c1-3-10-11(2,9)5-4-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,6,2,8,7,9,10,11,5,3,4/E:(7,8)/rA:11cCCOPOCCCCOO/rB:s1;s2;s3;d4;s4;s4;s7;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H13O4P |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.27903 |
Area: | 353.189 |
Solvation: | -3.55069 |
Coulombic: | -38.3344 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.139 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.16 |
LogP (Chemaxon): | -0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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