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Home > Nitro Compounds > 88328-02-3
88328-02-3 | Glycine, N-nitroso-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-
CAS No: 88328-02-3 Catalog No: AG0047DI MDL No:
Product Description
Catalog Number:
AG0047DI
Chemical Name:
Glycine, N-nitroso-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-
CAS Number:
88328-02-3
Molecular Formula:
C12H15N3O5S
Molecular Weight:
313.3296
IUPAC Name:
2-(N-nitroso-4-pyrrolidin-1-ylsulfonylanilino)acetic acid
InChI:
InChI=1S/C12H15N3O5S/c16-12(17)9-15(13-18)10-3-5-11(6-4-10)21(19,20)14-7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,17)
InChI Key:
WDCZHEFHSGOPGB-UHFFFAOYSA-N
SMILES:
O=NN(c1ccc(cc1)S(=O)(=O)N1CCCC1)CC(=O)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.328g/mol
Monoisotopic Mass:
313.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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