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28697-09-8 | 1,2-Piperidinedicarboxylic acid, 1-(phenylmethyl) ester, (2R)-
CAS No: 28697-09-8 Catalog No: AG002W55 MDL No:MFCD01863645
Product Description
Catalog Number:
AG002W55
Chemical Name:
1,2-Piperidinedicarboxylic acid, 1-(phenylmethyl) ester, (2R)-
CAS Number:
28697-09-8
Molecular Formula:
C14H16NO4-
Molecular Weight:
262.2811
MDL Number:
MFCD01863645
IUPAC Name:
(2R)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C14H17NO4/c16-13(17)12-8-4-5-9-15(12)14(18)19-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,17)/t12-/m1/s1
InChI Key:
ZSAIHAKADPJIGN-GFCCVEGCSA-N
SMILES:
[O-]C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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