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1810070-27-9 | 4-Piperidineacetic acid, 2-methyl-, ethyl ester, ethanedioate (2:1)
CAS No: 1810070-27-9 Catalog No: AG0022KY MDL No:
Product Description
Catalog Number:
AG0022KY
Chemical Name:
4-Piperidineacetic acid, 2-methyl-, ethyl ester, ethanedioate (2:1)
CAS Number:
1810070-27-9
Molecular Formula:
C22H40N2O8
Molecular Weight:
460.5616
IUPAC Name:
ethyl 2-(2-methylpiperidin-4-yl)acetate;oxalic acid
InChI:
InChI=1S/2C10H19NO2.C2H2O4/c2*1-3-13-10(12)7-9-4-5-11-8(2)6-9;3-1(4)2(5)6/h2*8-9,11H,3-7H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
PPKNVNUXAJEESH-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCOC(=O)CC1CCNC(C1)C.CCOC(=O)CC1CCNC(C1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.278g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
460.568g/mol
Monoisotopic Mass:
460.278g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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