sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

CAS No.:
832684-43-2
Catalog Number:
AG0036HW
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
75%
1 week
United States
$450
- +
1g
75%
1 week
United States
$1071
- +
Product Description
Catalog Number:
AG0036HW
Chemical Name:
5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CAS Number:
832684-43-2
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD04969897
IUPAC Name:
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C12H17NO3/c1-12(2,3)7-4-5-9-8(6-7)10(11(14)15)13-16-9/h7H,4-6H2,1-3H3,(H,14,15)
InChI Key:
YAICHDLMXOAJLD-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc2c1CC(CC2)C(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
5-tert-butyl-N-pyrazol-4-yl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide derivatives as novel potent inhibitors of Mycobacterium tuberculosis pantothenate synthetase: initiating a quest for new antitubercular drugs. Journal of medicinal chemistry 20080410
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