Chemical ID: 7242499

CC(=O)C1CC(C1(C)C)C(=O)O
Chemical ID:
7242499
Name [?]:
3-acetyl-2,2-dimethyl-cyclobutane-1-carboxylic acid
SMILES [?]:
CC(=O)C1CC(C1(C)C)C(=O)O
InChi [?]:
InChI=1/C9H14O3/c1-5(10)6-4-7(8(11)12)9(6,2)3/h6-7H,4H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,9,5,2,4,6,10,7,3,11,12/E:(2,3)(11,12)/rA:12cCCOCCCCCCCOO/rB:s1;d2;s2;s4;s5;s4s6;s7;s7;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O3
All Atoms:26
Heavy Atoms:12
Chiral Atoms:None
ZAP Information [?]
Total:5.63027
Area:326.361
Solvation:-2.52876
Coulombic:-32.7508
Bond Count [?]
All:12
Single:10
Double:2
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.92
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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