Chemical ID: 6682110

CCC(C)[O-]
Chemical ID:
6682110
Name [?]:
butan-2-olate
SMILES [?]:
CCC(C)[O-]
InChi [?]:
InChI=1/C4H9O/c1-3-4(2)5/h4H,3H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,4,2,3,5/CRV:5-1/rA:5cCCCCO-/rB:s1;s2;s3;s3;/rC:;;;;;

Chemical Details

Atom Count
Formula:C4H9O-
All Atoms:5
Heavy Atoms:5
Chiral Atoms:1
ZAP Information [?]
Total:-37.9509
Area:220.856
Solvation:-43.4723
Coulombic:14.3026
Bond Count [?]
All:4
Single:4
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:73.1137
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.74
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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