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1019770-99-0 | 2-Benzoxazolecarboxylic acid, sodium salt (1:1)
CAS No: 1019770-99-0 Catalog No: AG000651 MDL No:MFCD17676126
Product Description
Catalog Number:
AG000651
Chemical Name:
2-Benzoxazolecarboxylic acid, sodium salt (1:1)
CAS Number:
1019770-99-0
Molecular Formula:
C8H4NNaO3
Molecular Weight:
185.1120
MDL Number:
MFCD17676126
IUPAC Name:
sodium;1,3-benzoxazole-2-carboxylate
InChI:
InChI=1S/C8H5NO3.Na/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1
InChI Key:
LWJDCIURIBAZJN-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nc2c(o1)cccc2.[Na+]
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.114g/mol
Monoisotopic Mass:
185.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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