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6588-17-6 | sodium 5-heptyl-5-methyl-4-oxo-4,5-dihydro-1,3-oxazol-2-olate
CAS No: 6588-17-6 Catalog No: AG006MOW MDL No:
Product Description
Catalog Number:
AG006MOW
Chemical Name:
sodium 5-heptyl-5-methyl-4-oxo-4,5-dihydro-1,3-oxazol-2-olate
CAS Number:
6588-17-6
Molecular Formula:
C11H18NNaO3
Molecular Weight:
235.2553
IUPAC Name:
sodium;5-heptyl-5-methyl-4-oxo-1,3-oxazol-2-olate
InChI:
InChI=1S/C11H19NO3.Na/c1-3-4-5-6-7-8-11(2)9(13)12-10(14)15-11;/h3-8H2,1-2H3,(H,12,13,14);/q;+1/p-1
InChI Key:
AOPGIPYEZTWCFO-UHFFFAOYSA-M
SMILES:
CCCCCCCC1(C)OC(=NC1=O)[O-].[Na+]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.259g/mol
Monoisotopic Mass:
235.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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