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504-33-6 | Butanoic acid, 2-amino-4-sulfo-
CAS No: 504-33-6 Catalog No: AG0000XJ MDL No:MFCD00007536
Product Description
Catalog Number:
AG0000XJ
Chemical Name:
Butanoic acid, 2-amino-4-sulfo-
CAS Number:
504-33-6
Molecular Formula:
C4H9NO5S
Molecular Weight:
183.1830
MDL Number:
MFCD00007536
IUPAC Name:
2-amino-4-sulfobutanoic acid
InChI:
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
InChI Key:
VBOQYPQEPHKASR-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCS(=O)(=O)O)N
EC Number:
207-991-0
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.178g/mol
Monoisotopic Mass:
183.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
Literature
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