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Acedoben

CAT: 0013-GTR19162015-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162015-05Size:25 mg
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Description
Acedoben (4-acetamidobenzoic acid) is a chemical compound with the molecular formula of C9H9NO3. It is the acetyl derivative of para-aminobenzoic acid (PABA) .
CAS Number
556-08-1
Purity
>98% (HPLC)
Solubility
Soluble in Water
Smiles
CC (=O) NC1=CC=C (C=C1) C (O) =O
Molecular Formula
C9H9NO3
Molecular Weight
179.17
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

p-Acetamidobenzoic acid

4-acetamidobenzoic acid is a amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4. It is functionally related to a 4-aminobenzoic acid. It is a conjugate acid of a 4-acetamidobenzoate.

CAS Number556-08-1
PubChem CID19266
IUPAC Name4-acetamidobenzoic acid
Molecular FormulaC9H9NO3
Molecular Weight179.17
XLogP1.3
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity207
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
QCXJEYYXVJIFCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Acetamidobenzoic acid
CAS: 556-08-1
CID: 19266
Formula: C9H9NO3
MW: 179.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.17
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass179.058243149
Monoisotopic Mass179.058243149
Topological Polar Surface Area66.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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