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7314-32-1 | (S)-2-Amino-4-(methylsulfonyl)butanoic acid
CAS No: 7314-32-1 Catalog No: AG003RCU MDL No:MFCD00066020
Product Description
Catalog Number:
AG003RCU
Chemical Name:
(S)-2-Amino-4-(methylsulfonyl)butanoic acid
CAS Number:
7314-32-1
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.2101
MDL Number:
MFCD00066020
IUPAC Name:
(2S)-2-amino-4-methylsulfonylbutanoic acid
InChI:
InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChI Key:
UCUNFLYVYCGDHP-BYPYZUCNSA-N
SMILES:
OC(=O)[C@H](CCS(=O)(=O)C)N
EC Number:
230-774-7
UNII:
V3Z9QH81BX
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.206g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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