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Home > Nitro Compounds > 179174-23-3
179174-23-3 | β-Alanine, N-[(4-nitrophenyl)sulfonyl]-
CAS No: 179174-23-3 Catalog No: AG0026U4 MDL No:MFCD00572376
Product Description
Catalog Number:
AG0026U4
Chemical Name:
β-Alanine, N-[(4-nitrophenyl)sulfonyl]-
CAS Number:
179174-23-3
Molecular Formula:
C9H10N2O6S
Molecular Weight:
274.2505
MDL Number:
MFCD00572376
IUPAC Name:
3-[(4-nitrophenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C9H10N2O6S/c12-9(13)5-6-10-18(16,17)8-3-1-7(2-4-8)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChI Key:
WBULOUVRHAKHDN-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
626994
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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