Chemical ID: 5020189

CCCOCCC(=O)CO
Chemical ID:
5020189
Name [?]:
1-hydroxy-4-propoxy-butan-2-one
SMILES [?]:
CCCOCCC(=O)CO
InChi [?]:
InChI=1/C7H14O3/c1-2-4-10-5-3-7(9)6-8/h8H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,7,10,8,4/rA:10nCCCOCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:3.73671
Area:339.289
Solvation:-4.7455
Coulombic:-30.4169
Bond Count [?]
All:9
Single:8
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:146.184
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.43
LogP (Chemaxon):0.54

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Experimental Annotations

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Descriptor Annotations

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