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3-cyano-4-(2-methylpropoxy)benzoic acid

3-cyano-4-(2-methylpropoxy)benzoic acid

Systemtic Name:3-cyano-4-(2-methylpropoxy)benzoic acid
Openeye Name:3-cyano-4-isobutoxy-benzoic acid
CAS Name:3-cyano-4-(2-methylpropoxy)benzoic acid
IUPAC Name:3-cyano-4-(2-methylpropoxy)benzoic acid
Traditional Name:3-cyano-4-isobutoxy-benzoic acid
Formula: C12H13NO3
MolecularWeight: 219.23652
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)O)C#N


Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)O)C#N


InChI

InChI=1S/C12H13NO3/c1-8(2)7-16-11-4-3-9(12(14)15)5-10(11)6-13/h3-5,8H,7H2,1-2H3,(H,14,15)


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