Chemical ID: 4953789

CCCCOC(=O)C=O
Chemical ID:
4953789
Name [?]:
butyl 2-oxoacetate
SMILES [?]:
CCCCOC(=O)C=O
InChi [?]:
InChI=1/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,8,6,9,7,5/rA:9nCCCCOCOCO/rB:s1;s2;s3;s4;s5;d6;s6;d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10O3
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.05476
Area:310.473
Solvation:-2.70708
Coulombic:-28.0245
Bond Count [?]
All:8
Single:6
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:130.142
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.06
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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