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3313-38-0 | 2-Benzoxazolecarboxamide(7CI,8CI,9CI)
CAS No: 3313-38-0 Catalog No: AG00CL01 MDL No:MFCD09701309
Product Description
Catalog Number:
AG00CL01
Chemical Name:
2-Benzoxazolecarboxamide(7CI,8CI,9CI)
CAS Number:
3313-38-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD09701309
IUPAC Name:
1,3-benzoxazole-2-carboxamide
InChI:
InChI=1S/C8H6N2O2/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,11)
InChI Key:
WHHYMBKESAOOSX-UHFFFAOYSA-N
SMILES:
NC(=O)c1nc2c(o1)cccc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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