Chemical ID: 6653817

CC(C)(C=C)C(=O)O
Chemical ID:
6653817
Name [?]:
2,2-dimethylbut-3-enoic acid
SMILES [?]:
CC(C)(C=C)C(=O)O
InChi [?]:
InChI=1/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:5,1,3,4,6,2,7,8/E:(2,3)(7,8)/rA:8nCCCCCCOO/rB:s1;s2;s2;d4;s2;d6;s6;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10O2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:5.25901
Area:265.716
Solvation:-1.3839
Coulombic:-28.7293
Bond Count [?]
All:7
Single:5
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:114.142
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.49
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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