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141215-28-3 | Asparagine, N-hydroxy-, monohydrate (9CI)
CAS No: 141215-28-3 Catalog No: AG001G2N MDL No:
Product Description
Catalog Number:
AG001G2N
Chemical Name:
Asparagine, N-hydroxy-, monohydrate (9CI)
CAS Number:
141215-28-3
Molecular Formula:
C4H10N2O5
Molecular Weight:
166.1326
IUPAC Name:
4-amino-2-(hydroxyamino)-4-oxobutanoic acid;hydrate
InChI:
InChI=1S/C4H8N2O4.H2O/c5-3(7)1-2(6-10)4(8)9;/h2,6,10H,1H2,(H2,5,7)(H,8,9);1H2
InChI Key:
OKZKCAXFIHOBRK-UHFFFAOYSA-N
SMILES:
ON[C@H](C(=O)O)CC(=O)N.O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
166.133g/mol
Monoisotopic Mass:
166.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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