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160141-80-0 | L-Methionine, 1-methylethyl ester, S,S-dioxide
CAS No: 160141-80-0 Catalog No: AG001ROW MDL No:
Product Description
Catalog Number:
AG001ROW
Chemical Name:
L-Methionine, 1-methylethyl ester, S,S-dioxide
CAS Number:
160141-80-0
Molecular Formula:
C8H17NO4S
Molecular Weight:
223.2899
IUPAC Name:
propan-2-yl (2S)-2-amino-4-methylsulfonylbutanoate
InChI:
InChI=1S/C8H17NO4S/c1-6(2)13-8(10)7(9)4-5-14(3,11)12/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
InChI Key:
LFGPRYGRRHSBQV-ZETCQYMHSA-N
SMILES:
CC(OC(=O)[C@H](CCS(=O)(=O)C)N)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.287g/mol
Monoisotopic Mass:
223.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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