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Home > Encyclopedia > Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI)

Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI)

Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI) structure

Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI) 

structure
  • CAS No:

    593272-74-3

  • Formula:

    C12H11NO2

  • Chemical Name:

    Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI)

  • Synonyms:

    3-methyl-4-(1H-pyrrol-1-yl)benzoic acid;593272-74-3;3-Methyl-4-pyrrol-1-yl-benzoic acid;3-methyl-4-pyrrolylbenzoic acid;Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI);CHEMBL3593867;CTK6B5341;ZINC450455;6355AE

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Benzoic acid, 3-methyl-4-(1H-pyrrol-1-yl)- (9CI) Basic Attributes

201.22124

201.07900

2933990090

Characteristics

42.23000

2.48390

1.16g/cm3

367.3ºC at 760 mmHg

176ºC

1.587

Drug Information

3-methyl-4-(1H-pyrrol-1-yl)benzoic acid

Computed Properties

Molecular Weight:201.22
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:201.078978594
Monoisotopic Mass:201.078978594
Topological Polar Surface Area:42.2
Heavy Atom Count:15
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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