Chemical ID: 4727193

Cc1cc(no1)C(=O)O
Chemical ID:
4727193
Name [?]:
5-methylisoxazole-3-carboxylic acid
SMILES [?]:
Cc1cc(no1)C(=O)O
InChi [?]:
InChI=1/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,7,5,8,9,6/E:(7,8)/rA:9nCCCCNOCOO/rB:s1;d2;s3;d4;s2s5;s4;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5NO3
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.34364
Area:274.948
Solvation:-2.53006
Coulombic:-30.6135
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:127.098
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.51
LogP (Chemaxon):0.48

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Descriptor Annotations

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