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Home Carboxys Methyl 1,3-benzoxazole-5-carboxylate

Methyl 1,3-benzoxazole-5-carboxylate

CAS No.:
924869-17-0
Catalog Number:
AG003RX4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$313
- +
10g
95%
In Stock USA
United States
$544
- +
Product Description
Catalog Number:
AG003RX4
Chemical Name:
Methyl 1,3-benzoxazole-5-carboxylate
CAS Number:
924869-17-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD08689687
IUPAC Name:
methyl 1,3-benzoxazole-5-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3
InChI Key:
VHLBJWCXFIGALN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nco2
Properties
Complexity:
207  
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:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis, anticonvulsant and neurotoxicity evaluation of 5-carbomethoxybenzoxazole derivatives. Acta poloniae pharmaceutica 20080101
Properties