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1226495-49-3

1226495-49-3 | 1-Pyrrolidinecarboxylic acid, 3-[(Z)-amino(hydroxyimino)methyl]-, 1,1-dimethylethyl ester

CAS No: 1226495-49-3 Catalog No: AG0017KM MDL No:MFCD19982674

Product Description

Catalog Number:
AG0017KM
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(Z)-amino(hydroxyimino)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1226495-49-3
Molecular Formula:
C10H19N3O3
Molecular Weight:
229.2762
MDL Number:
MFCD19982674
IUPAC Name:
tert-butyl 3-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)13-5-4-7(6-13)8(11)12-15/h7,15H,4-6H2,1-3H3,(H2,11,12)
InChI Key:
ICMRUAQEVGWING-UHFFFAOYSA-N
SMILES:
O/N=C(/C1CCN(C1)C(=O)OC(C)(C)C)\N

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.143g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.28g/mol
Monoisotopic Mass:
229.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.4  

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