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115909-93-8 | 1-Piperidinecarboxylic acid, 3-(2-hydroxyethyl)-, phenylmethyl ester, (R)- (9CI)
CAS No: 115909-93-8 Catalog No: AG000H3R MDL No:MFCD04114978
Product Description
Catalog Number:
AG000H3R
Chemical Name:
1-Piperidinecarboxylic acid, 3-(2-hydroxyethyl)-, phenylmethyl ester, (R)- (9CI)
CAS Number:
115909-93-8
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
MDL Number:
MFCD04114978
IUPAC Name:
benzyl 3-(2-hydroxyethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H21NO3/c17-10-8-13-7-4-9-16(11-13)15(18)19-12-14-5-2-1-3-6-14/h1-3,5-6,13,17H,4,7-12H2
InChI Key:
WJWVPZLPLBICGI-UHFFFAOYSA-N
SMILES:
OCC[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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