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3-CYANO-4-METHOXYBENZOIC ACID

3-CYANO-4-METHOXYBENZOIC ACID structure

3-CYANO-4-METHOXYBENZOIC ACID 

structure
  • CAS No:

    117738-82-6

  • Formula:

    C9H7NO3

  • Chemical Name:

    3-CYANO-4-METHOXYBENZOIC ACID

  • Synonyms:

    4-methoxy-3-cyanobenzoic acid; 3-cyano-4-(methyloxy)benzoic acid;

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-CYANO-4-METHOXYBENZOIC ACID Basic Attributes

177.15700

177.042593085

DTXSID60621275

Characteristics

70.32000

1.26508

1.32g/cm3

362.62ºC

173.106ºC

1.573

0mmHg at 25°C

Computed Properties

Molecular Weight:177.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:70.3
Heavy Atom Count:13
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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