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Chemical ID: 7242499
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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