3-acetamidobenzoic acid
Structural formula
| Business number | 05Z3 |
|---|---|
| Molecular formula | C9H9NO3 |
| Molecular weight | 179.17 |
| label |
3-acetamidobenzoic acid, 3-acetamidobenzoic acid, 3-acetamidobenzoic acid, 98%, 3-(acetylamino)-benzoic acid, M-ACETAMIDOBENZOIC ACID, M-ACETAMINOBENZOIC ACID, AURORA 5362, AKOS BBS-00003786, 3-ACETAMIDOBENZOIC ACID, 3-(ACETYLAMINO)BENZOIC ACID, RARECHEM AL BO 2055, Aromatic carboxylic acids, Anhydrides and salts, aromatic amino acids, peptide synthesis, Unnatural amino acid derivatives |
Numbering system
CAS number:587-48-4
MDL number:MFCD00013983
EINECS number:209-600-9
RTECS number:None
BRN number:2210867
PubChem number:24844992
Physical property data
1. Physical property data
1. Melting point (ºC): 247-252
Toxicological data
None
Ecological data
None
Molecular structure data
Molecular property data:
1, Molar refractive index:47.45
2, Molar volume (m3/mol):135.0
3, Isotonic specific volume (90.2K ):373.1
4, Surface tension (dyne/ cm):58.2
5, Polarizability (10-24cm3): 18.81
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 66.4
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 215
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Stability and reactivity:
Materials to avoid: Oxides.
Products to be decomposed: carbon monoxide and carbon dioxide, nitrogen oxides.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None
Purpose
None
