Chemical ID: 6691004

CC(C=C)C(=O)O
Chemical ID:
6691004
Name [?]:
2-methylbut-3-enoic acid
SMILES [?]:
CC(C=C)C(=O)O
InChi [?]:
InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H,6,7)
InChi Info:
AuxInfo=1/1/N:4,1,3,2,5,6,7/E:(6,7)/rA:7cCCCCCOO/rB:s1;s2;d3;s2;d5;s5;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C5H8O2
All Atoms:7
Heavy Atoms:7
Chiral Atoms:1
ZAP Information [?]
Total:4.86732
Area:253.044
Solvation:-1.45878
Coulombic:-28.0398
Bond Count [?]
All:6
Single:4
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:100.116
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.78
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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