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1245646-76-7 | 1-Piperidinecarboxylic acid, 4-(nitromethylene)-, 1,1-dimethylethyl ester
CAS No: 1245646-76-7 Catalog No: AG000MAX MDL No:
Product Description
Catalog Number:
AG000MAX
Chemical Name:
1-Piperidinecarboxylic acid, 4-(nitromethylene)-, 1,1-dimethylethyl ester
CAS Number:
1245646-76-7
Molecular Formula:
C11H18N2O4
Molecular Weight:
242.2716
IUPAC Name:
tert-butyl 4-(nitromethylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O4/c1-11(2,3)17-10(14)12-6-4-9(5-7-12)8-13(15)16/h8H,4-7H2,1-3H3
InChI Key:
RFBSOMYZEDNYCW-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=C[N+](=O)[O-])CC1)OC(C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.275g/mol
Monoisotopic Mass:
242.127g/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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