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  • 2-Piperidinecarboxylicacid, 4-hydroxy-, (2R,4R)-rel
Name:2-Piperidinecarboxylicacid, 4-hydroxy-, (2R,4R)-rel
CAS No:1622-20-4

PRODUCT DESCRIPTION

【Name】
2-Piperidinecarboxylicacid, 4-hydroxy-, (2R,4R)-rel-
【CAS Registry number】
1622-20-4
【Synonyms】
2-Piperidinecarboxylicacid, 4-hydroxy-, trans-
NSC 93088
【Molecular Formula】
C6H11 N O3 (Products with the same molecular formula)
【Molecular Weight】
145.1564
【Inchi】
InChI=1/C6H11NO3/c8-4-1-2-7-5(3-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
【Canonical SMILES】
C1CNC(CC1O)C(=O)O
【Isomers smiles】
C1CN[C@H](C[C@@H]1O)C(=O)O

Chemical and Physical Properties

【Density】
1.299g/cm3
【Boiling Point】
346°Cat760mmHg
【Vapour】
3.72E-06mmHg at 25°C
【Refractive Index】
1.522
【Flash Point】
163°C
【Computed Properties】
Molecular Weight:145.15644 [g/mol]
Molecular Formula:C6H11NO3
XLogP3-AA:-3
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:145.073893
MonoIsotopic Mass:145.073893
Topological Polar Surface Area:69.6
Heavy Atom Count:10
Formal Charge:0
Complexity:137
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.4
CID Conformer Count:14

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