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169206-66-0 | 4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-4-(nitromethyl)-, methyl ester
CAS No: 169206-66-0 Catalog No: AG001YL8 MDL No:
Product Description
Catalog Number:
AG001YL8
Chemical Name:
4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-4-(nitromethyl)-, methyl ester
CAS Number:
169206-66-0
Molecular Formula:
C14H24N2O6
Molecular Weight:
316.3502
IUPAC Name:
tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H24N2O6/c1-13(2,3)22-12(18)15-7-5-14(6-8-15,10-16(19)20)9-11(17)21-4/h5-10H2,1-4H3
InChI Key:
MBVCAUFPSDXJJD-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C[N+](=O)[O-]
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.354g/mol
Monoisotopic Mass:
316.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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