Alanine, 3-(2-propenylsulfinyl)-


Chemical Name: Alanine, 3-(2-propenylsulfinyl)-
CAS Number: 17795-26-5
Product Number: AG00AQ7K(AGN-PC-0O51D7)
Synonyms:
MDL No:
Molecular Formula: C6H11NO3S
Molecular Weight: 177.22144

Identification/Properties


Computed Properties
Molecular Weight:
177.218g/mol
XLogP3:
-3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
177.046g/mol
Monoisotopic Mass:
177.046g/mol
Topological Polar Surface Area:
99.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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