4-Aminobenzoic Acid

4-Aminobenzoic Acid bmse000066 - Data bmse000887 - Data bmse000916 - Data bmst000162 - Theory

4_aminobenzoic_acid synonyms

ABEE; 1-Amino-4-carboxybenzene; Chromotrichia factor; Kyselina p-aminobenzoova [Czech]; 4-Aminobenzoate; RVPaba Lipstick; Trichochromogenic factor; Amben; Acido p-aminobenzoico [Italian]; Pabafilm; p-Aminobenzoate

Wikipedia:

Graphical representations:

4_aminobenzoic_acid

View large 3D structure

Molecular Formula: C7H7NO2

Natural Isotopic Abundance Mass: 137.1359800000

Mono-Isotopic Molecular Masses:

  • C12N14: 137.047678474
  • C13N14: 144.071162339
  • C12N15: 138.044713367
  • C13N15: 145.0681972319

InChI string: InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)

IUPAC: 4-aminobenzoic acid

PubChem Compound (CID): 978
KEGG Compound ID: C00568
CAS Registry number: 150-13-0 8014-65-1
ChEBI: 30753
NSC: 7627
HSDB: 6840
CCRIS: 6209
Beilstein Handbook Reference: 4-27-00-07875
EINECS: 205-753-0
PDB Compound ID: PAB

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)