sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3-Phenylisoxazole-5-carboxylic acid

3-Phenylisoxazole-5-carboxylic acid

CAS No.:
14442-12-7
Catalog Number:
AG001JI2
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$200
- +
10g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG001JI2
Chemical Name:
3-Phenylisoxazole-5-carboxylic acid
CAS Number:
14442-12-7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD01936010
IUPAC Name:
3-phenyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:
YGTFDJRCCBKLDM-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(c1)c1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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