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1309581-43-8 | 1-Pyrrolidinecarboxylic acid, 3-nitro-, 1,1-dimethylethyl ester
CAS No: 1309581-43-8 Catalog No: AG000V68 MDL No:MFCD21337917
Product Description
Catalog Number:
AG000V68
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-nitro-, 1,1-dimethylethyl ester
CAS Number:
1309581-43-8
Molecular Formula:
C9H16N2O4
Molecular Weight:
216.2343
MDL Number:
MFCD21337917
IUPAC Name:
tert-butyl 3-nitropyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H16N2O4/c1-9(2,3)15-8(12)10-5-4-7(6-10)11(13)14/h7H,4-6H2,1-3H3
InChI Key:
QDLAHUFDHRJWOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.237g/mol
Monoisotopic Mass:
216.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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