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Chemical ID: 5252743
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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