Chemical ID: 6679825

COC(=O)CCCCC(=O)O
Chemical ID:
6679825
Name [?]:
6-methoxy-6-oxo-hexanoic acid
SMILES [?]:
COC(=O)CCCCC(=O)O
InChi [?]:
InChI=1/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,3,10,11,4,2/E:(8,9)/rA:11nCOCOCCCCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.76358
Area:347.911
Solvation:-2.9342
Coulombic:-43.0586
Bond Count [?]
All:10
Single:8
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:160.168
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.33
LogP (Chemaxon):0.45

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Descriptor Annotations

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