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1363166-38-4 | 1,3-Piperidinedicarboxylic acid, 3-fluoro-, 1-(phenylmethyl) ester
CAS No: 1363166-38-4 Catalog No: AG0011MH MDL No:MFCD21641309
Product Description
Catalog Number:
AG0011MH
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-fluoro-, 1-(phenylmethyl) ester
CAS Number:
1363166-38-4
Molecular Formula:
C14H15FNO4-
Molecular Weight:
280.2716
MDL Number:
MFCD21641309
IUPAC Name:
3-fluoro-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C14H16FNO4/c15-14(12(17)18)7-4-8-16(10-14)13(19)20-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,17,18)
InChI Key:
VNPUCPQSPVPDPC-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)(F)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.283g/mol
Monoisotopic Mass:
281.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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