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921755-25-1 | Acetic acid, 2-diazo-2-(pentylsulfonyl)-, ethyl ester
CAS No: 921755-25-1 Catalog No: AG006GPX MDL No:
Product Description
Catalog Number:
AG006GPX
Chemical Name:
Acetic acid, 2-diazo-2-(pentylsulfonyl)-, ethyl ester
CAS Number:
921755-25-1
Molecular Formula:
C9H16N2O4S
Molecular Weight:
248.2993
IUPAC Name:
ethyl 2-diazo-2-pentylsulfonylacetate
InChI:
InChI=1S/C9H16N2O4S/c1-3-5-6-7-16(13,14)8(11-10)9(12)15-4-2/h3-7H2,1-2H3
InChI Key:
WQSBJPFTMUWCJV-UHFFFAOYSA-N
SMILES:
CCCCCS(=O)(=O)C(=[N+]=[N-])C(=O)OCC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.297g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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