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Home > Encyclopedia > Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester, (S)- (9CI)

Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester, (S)- (9CI)

Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester, (S)- (9CI) structure

Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester, (S)- (9CI) 

structure
  • CAS No:

    170955-25-6

  • Formula:

    C12H16O3

  • Chemical Name:

    Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester, (S)- (9CI)

  • Synonyms:

    Methyl 4-[(2S)-3-hydroxy-2-methylpropyl]benzoate;ZINC34612286

Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester, (S)- (9CI) Basic Attributes

208.25364

208.11

Characteristics

46.5

2.7

Computed Properties

Molecular Weight:208.25
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:195
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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