Home Carboxys 7-Benzoxazolecarboxylic acid

7-Benzoxazolecarboxylic acid

CAS No.:
208772-24-1
Catalog Number:
AG002JVV
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
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Product Description
Catalog Number:
AG002JVV
Chemical Name:
7-Benzoxazolecarboxylic acid
CAS Number:
208772-24-1
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD11890785
IUPAC Name:
1,3-benzoxazole-7-carboxylic acid
InChI:
InChI=1S/C8H5NO3/c10-8(11)5-2-1-3-6-7(5)12-4-9-6/h1-4H,(H,10,11)
InChI Key:
JHTQTAYWCUAENJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1ocn2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties