Home Carboxys methyl 2,1-benzoxazole-5-carboxylate

methyl 2,1-benzoxazole-5-carboxylate

CAS No.:
1820648-79-0
Catalog Number:
AG01BBNI
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBNI
Chemical Name:
methyl 2,1-benzoxazole-5-carboxylate
CAS Number:
1820648-79-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD29033783
IUPAC Name:
methyl 2,1-benzoxazole-5-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)5-13-10-8/h2-5H,1H3
InChI Key:
UKPZHCYISGJXRP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)con2
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  
Properties