Home Carboxys 5-Benzoxazolecarboxylic acid, ethyl ester

5-Benzoxazolecarboxylic acid, ethyl ester

CAS No.:
1404370-64-4
Catalog Number:
AG001CF8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG001CF8
Chemical Name:
5-Benzoxazolecarboxylic acid, ethyl ester
CAS Number:
1404370-64-4
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD22682802
IUPAC Name:
ethyl 1,3-benzoxazole-5-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-2-13-10(12)7-3-4-9-8(5-7)11-6-14-9/h3-6H,2H2,1H3
InChI Key:
NYONLFVSTRIQFN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nco2
Properties
Complexity:
219  
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:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties