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1228631-45-5 | 1,3-Piperidinedicarboxylic acid, 3-fluoro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1228631-45-5 Catalog No: AG000JMS MDL No:MFCD12911429
Product Description
Catalog Number:
AG000JMS
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-fluoro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1228631-45-5
Molecular Formula:
C13H22FNO4
Molecular Weight:
275.3165
MDL Number:
MFCD12911429
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 3-fluoropiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C13H22FNO4/c1-5-18-10(16)13(14)7-6-8-15(9-13)11(17)19-12(2,3)4/h5-9H2,1-4H3
InChI Key:
QODPJSPWRVJNDL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(F)CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.32g/mol
Monoisotopic Mass:
275.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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