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115399-61-6 | Hexanoic acid, 2-diazo-6-mercapto-3-oxo-, ethyl ester
CAS No: 115399-61-6 Catalog No: AG000FXF MDL No:
Product Description
Catalog Number:
AG000FXF
Chemical Name:
Hexanoic acid, 2-diazo-6-mercapto-3-oxo-, ethyl ester
CAS Number:
115399-61-6
Molecular Formula:
C8H12N2O3S
Molecular Weight:
216.2575
IUPAC Name:
ethyl 2-diazo-3-oxo-6-sulfanylhexanoate
InChI:
InChI=1S/C8H12N2O3S/c1-2-13-8(12)7(10-9)6(11)4-3-5-14/h14H,2-5H2,1H3
InChI Key:
ZTRADNJWHHARKB-UHFFFAOYSA-N
SMILES:
SCCCC(=O)C(=[N+]=[N-])C(=O)OCC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.255g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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