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Home Other Building Blocks 2-Amino-3,5-dimethylbenzoic acid

2-Amino-3,5-dimethylbenzoic acid

CAS No.:
14438-32-5
Catalog Number:
AG001JFB
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG001JFB
Chemical Name:
2-Amino-3,5-dimethylbenzoic acid
CAS Number:
14438-32-5
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00017099
IUPAC Name:
2-amino-3,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
GIMYRAQQQBFFFJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C(=O)O)N
NSC Number:
90444
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties