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Home > Encyclopedia > 3-(1-adamantyl)-4-methoxybenzoic acid

3-(1-adamantyl)-4-methoxybenzoic acid

3-(1-adamantyl)-4-methoxybenzoic acid structure

3-(1-adamantyl)-4-methoxybenzoic acid 

structure
  • CAS No:

    104224-62-6

  • Formula:

    C18H22O3

  • Chemical Name:

    3-(1-adamantyl)-4-methoxybenzoic acid

  • Synonyms:

    3-(1-adamantyl)-4-methoxybenzoic acid;104224-62-6;3-(adamantan-1-yl)-4-methoxybenzoic acid;3-adamantanyl-4-methoxybenzoic acid;4-methoxy-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzoic acid;SCHEMBL565789;CTK7A5901;ALBB-010389;ZINC4718122;BBL003395

3-(1-adamantyl)-4-methoxybenzoic acid Basic Attributes

286.36548

286.157

Characteristics

46.5

4.8

1.219±0.06 g/cm3(Predicted)

245-246 °C

450.9±38.0 °C(Predicted)

Safety Information

IRRITANT

Computed Properties

Molecular Weight:286.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:286.15689456
Monoisotopic Mass:286.15689456
Topological Polar Surface Area:46.5
Heavy Atom Count:21
Complexity:389
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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