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Home Other Building Blocks 2-Amino-3,4-dimethylbenzoic acid

2-Amino-3,4-dimethylbenzoic acid

CAS No.:
50419-58-4
Catalog Number:
AG003GCX
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$22
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003GCX
Chemical Name:
2-Amino-3,4-dimethylbenzoic acid
CAS Number:
50419-58-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00130041
IUPAC Name:
2-amino-3,4-dimethylbenzoic acid
InChI:
InChI=1S/C9H11NO2/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
MUOBMUYSNYMSDM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)C)C
NSC Number:
135928
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Vadimezan: 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid. Acta crystallographica. Section E, Structure reports online 20100801
An improved synthesis of 5,6-dimethylxanthenone-4-acetic acid (DMXAA). European journal of medicinal chemistry 20021001
Properties