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82068-12-0 | 3-[(THIEN-2-YLSULFONYL)AMINO]PROPANOIC ACID
CAS No: 82068-12-0 Catalog No: AG00G3WM MDL No:MFCD04623545
Product Description
Catalog Number:
AG00G3WM
Chemical Name:
3-[(THIEN-2-YLSULFONYL)AMINO]PROPANOIC ACID
CAS Number:
82068-12-0
Molecular Formula:
C7H9NO4S2
Molecular Weight:
235.2807
MDL Number:
MFCD04623545
IUPAC Name:
3-(thiophen-2-ylsulfonylamino)propanoic acid
InChI:
InChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)
InChI Key:
PGHCOXJSXMMPHU-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1cccs1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.272g/mol
Monoisotopic Mass:
234.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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