Home Carboxys Benzooxazole-2-carboxylic acid methyl ester

Benzooxazole-2-carboxylic acid methyl ester

CAS No.:
27383-86-4
Catalog Number:
AG00BHL1
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$525
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Product Description
Catalog Number:
AG00BHL1
Chemical Name:
Benzooxazole-2-carboxylic acid methyl ester
CAS Number:
27383-86-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09701312
IUPAC Name:
methyl 1,3-benzoxazole-2-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChI Key:
YDKNBNOOCSNPNS-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(o1)cccc2
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:
2.1  
Properties