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1255666-29-5 | 1,2,4-Piperidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 1255666-29-5 Catalog No: AG000NVS MDL No:MFCD16040215
Product Description
Catalog Number:
AG000NVS
Chemical Name:
1,2,4-Piperidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
1255666-29-5
Molecular Formula:
C13H20NO6-
Molecular Weight:
286.3010
MDL Number:
MFCD16040215
IUPAC Name:
2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-6-5-8(10(15)16)7-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChI Key:
VPZOZPSOJLQFGC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(CCN1C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.312g/mol
Monoisotopic Mass:
287.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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