TRANS-3-METHYL-1,2,2-CYCLOPROPANETRICARBOXYLIC ACI

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key UHPKJNPSAVBBLM-GBXIJSLDSA-N
Smiles C[C@@H]1[C@@H](C(O)=O)C1(C(O)=O)C(O)=O
InChI
InChI=1S/C7H8O6/c1-2-3(4(8)9)7(2,5(10)11)6(12)13/h2-3H,1H3,(H,8,9)(H,10,11)(H,12,13)/t2-,3+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8O6
Molecular Weight 188.03
AlogP -0.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 111.9
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 707-19-7
NORMAN SUSDAT
CONTENTS