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1245808-57-4 | 1,3-Piperidinedicarboxylic acid, 3-ethyl-, 1-(phenylmethyl) ester
CAS No: 1245808-57-4 Catalog No: AG000MFF MDL No:MFCD17976788
Product Description
Catalog Number:
AG000MFF
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-ethyl-, 1-(phenylmethyl) ester
CAS Number:
1245808-57-4
Molecular Formula:
C16H20NO4-
Molecular Weight:
290.3343
MDL Number:
MFCD17976788
IUPAC Name:
3-ethyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-2-16(14(18)19)9-6-10-17(12-16)15(20)21-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19)
InChI Key:
UMJDUZFRWNBBGO-UHFFFAOYSA-N
SMILES:
CCC1(CCCN(C1)C(=O)OCc1ccccc1)C(=O)[O-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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