sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid

3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
4872-58-6
Catalog Number:
AG00E03P
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$362
- +
1g
95%
In Stock USA
United States
$450
- +
5g
95%
In Stock USA
United States
$1350
- +
10g
95%
In Stock USA
United States
$2025
- +
25g
95%
In Stock USA
United States
$3938
- +
Product Description
Catalog Number:
AG00E03P
Chemical Name:
3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
4872-58-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD06011087
IUPAC Name:
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,12,13)
InChI Key:
HUFSZQCZMWZMKT-UHFFFAOYSA-N
SMILES:
OC(=O)C1ON=C(C1)c1ccccc1
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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
Properties