L-Valine, 2-propenyl ester, 4-methylbenzenesulfonate


Chemical Name: L-Valine, 2-propenyl ester, 4-methylbenzenesulfonate
CAS Number: 88224-02-6
Product Number: AG00GTU9(AGN-PC-0VJZZ2)
Synonyms:
MDL No:
Molecular Formula: C15H23NO5S
Molecular Weight: 329.4118

Identification/Properties


Computed Properties
Molecular Weight:
329.411g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
329.13g/mol
Monoisotopic Mass:
329.13g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
349
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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