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1005738-45-3 | 1,4,4-Piperidinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No: 1005738-45-3 Catalog No: AG0002CX MDL No:MFCD20923522
Product Description
Catalog Number:
AG0002CX
Chemical Name:
1,4,4-Piperidinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester
CAS Number:
1005738-45-3
Molecular Formula:
C13H20NO6-
Molecular Weight:
286.3010
MDL Number:
MFCD20923522
IUPAC Name:
4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H21NO6/c1-12(2,3)20-11(18)14-7-5-13(6-8-14,9(15)16)10(17)19-4/h5-8H2,1-4H3,(H,15,16)
InChI Key:
MFPPLBPVSINTPM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
404
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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