| Identification | Back Directory | [Name]
Benzenebutanoic acid, γ-cyano-3,4-dimethoxy-γ-(1-methylethyl)- | [CAS]
36622-23-8 | [Synonyms]
4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoic acid
Benzenebutanoic acid, γ-cyano-3,4-dimethoxy-γ-(1-methylethyl)- | [Molecular Formula]
C16H21NO4 | [MOL File]
36622-23-8.mol | [Molecular Weight]
291.35 |
| Chemical Properties | Back Directory | [Boiling point ]
448.8±45.0 °C(Predicted) | [density ]
1.126±0.06 g/cm3(Predicted) | [pka]
4.29±0.10(Predicted) | [InChI]
InChI=1S/C16H21NO4/c1-11(2)16(10-17,8-7-15(18)19)12-5-6-13(20-3)14(9-12)21-4/h5-6,9,11H,7-8H2,1-4H3,(H,18,19) | [InChIKey]
BSHCLIANLKRGLY-UHFFFAOYSA-N | [SMILES]
C(C1C=CC(OC)=C(OC)C=1)(C#N)(C(C)C)CCC(=O)O |
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