Chemical ID: 5252743

CCCOC(=O)CCCC(=O)O
Chemical ID:
5252743
Name [?]:
5-oxo-5-propoxy-pentanoic acid
SMILES [?]:
CCCOC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C8H14O4/c1-2-6-12-8(11)5-3-4-7(9)10/h2-6H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,3,10,5,11,12,6,4/E:(9,10)/rA:12nCCCOCOCCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.31488
Area:374.891
Solvation:-3.05741
Coulombic:-43.0895
Bond Count [?]
All:11
Single:9
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:174.194
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.75
LogP (Chemaxon):0.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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