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100858-34-2 | 1-Piperidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3R)-
CAS No: 100858-34-2 Catalog No: AG000319 MDL No:MFCD11112280
Product Description
Catalog Number:
AG000319
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3R)-
CAS Number:
100858-34-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD11112280
IUPAC Name:
benzyl (3R)-3-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C13H17NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1
InChI Key:
NDGWBAFATMSBHZ-GFCCVEGCSA-N
SMILES:
O[C@@H]1CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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