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Home Carboxys 2-Methyl-1,3-benzoxazole-7-carboxylic acid

2-Methyl-1,3-benzoxazole-7-carboxylic acid

CAS No.:
52395-92-3
Catalog Number:
AG00E2CU
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$125
- +
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG00E2CU
Chemical Name:
2-Methyl-1,3-benzoxazole-7-carboxylic acid
CAS Number:
52395-92-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD03308601
IUPAC Name:
2-methyl-1,3-benzoxazole-7-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c1-5-10-7-4-2-3-6(9(11)12)8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key:
KDPOFQJHFWJFCB-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)c(ccc2)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties