NAVIGATION

4-Cyanobenzoic Acid

Name: 4-Cyanobenzoic Acid
SKU: ACM619658
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Catalog NumberACM619658

CAS Number619-65-8

CategoryLiquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

IUPAC Name

4-cyanobenzoic acid

Molecular Weight

147.13g/mol

Molecular Formula

C8H5NO2

Canonical SMILES

C1=CC(=CC=C1C#N)C(=O)O

InChI

InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)

InChI Key

ADCUEPOHPCPMCE-UHFFFAOYSA-N

Solubility

0.01 M

Complexity

195

Covalently-Bonded Unit Count

EC Number

210-606-9

Exact Mass

147.032028g/mol

Formal Charge

Heavy Atom Count

Log P

1.56 (LogP)

MeSH Entry Terms

4-cyanobenzoate;4-cyanobenzoic acid;p-cyanobenzoic acid

Monoisotopic Mass

147.032028g/mol

NSC Number

6306

Rotatable Bond Count

UNII

50Z9A3423Z

XLogP3

1.6

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