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Home > Nitro Compounds > 7685-69-0
7685-69-0 | N-((o-Nitrophenyl)thio)-L-serine
CAS No: 7685-69-0 Catalog No: AG005S3V MDL No:
Product Description
Catalog Number:
AG005S3V
Chemical Name:
N-((o-Nitrophenyl)thio)-L-serine
CAS Number:
7685-69-0
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
IUPAC Name:
(2S)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
InChI:
InChI=1S/C9H10N2O5S/c12-5-6(9(13)14)10-17-8-4-2-1-3-7(8)11(15)16/h1-4,6,10,12H,5H2,(H,13,14)/t6-/m0/s1
InChI Key:
RMZDLHKFENWOGO-LURJTMIESA-N
SMILES:
OC[C@@H](C(=O)O)NSc1ccccc1[N+](=O)[O-]
EC Number:
231-691-9
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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