Chemical ID: 6406313

CCOP(=O)(C)CCC(=O)O
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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