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1228630-89-4 | 1-Piperidinecarboxylic acid, 4-nitro-, 1,1-dimethylethyl ester
CAS No: 1228630-89-4 Catalog No: AG000JMY MDL No:MFCD16618559
Product Description
Catalog Number:
AG000JMY
Chemical Name:
1-Piperidinecarboxylic acid, 4-nitro-, 1,1-dimethylethyl ester
CAS Number:
1228630-89-4
Molecular Formula:
C10H18N2O4
Molecular Weight:
230.2609
MDL Number:
MFCD16618559
IUPAC Name:
tert-butyl 4-nitropiperidine-1-carboxylate
InChI:
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(13)11-6-4-8(5-7-11)12(14)15/h8H,4-7H2,1-3H3
InChI Key:
XASYUHHGRZOCKH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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