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Home Aminos 3-Acetylaminobenzoic acid

3-Acetylaminobenzoic acid

CAS No.:
587-48-4
Catalog Number:
AG00E9J9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$197
- +
500g
98%
In Stock USA
United States
$665
- +
Product Description
Catalog Number:
AG00E9J9
Chemical Name:
3-Acetylaminobenzoic acid
CAS Number:
587-48-4
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00013983
IUPAC Name:
3-acetamidobenzoic acid
InChI:
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key:
RGDPZMQZWZMONQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)C(=O)O
EC Number:
209-600-9
NSC Number:
4001
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties