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1217713-62-6 | 1-Piperazinecarboxylic acid, 2-(hydroxymethyl)-, phenylmethyl ester, (2R)-
CAS No: 1217713-62-6 Catalog No: AG0015X1 MDL No:
Product Description
Catalog Number:
AG0015X1
Chemical Name:
1-Piperazinecarboxylic acid, 2-(hydroxymethyl)-, phenylmethyl ester, (2R)-
CAS Number:
1217713-62-6
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
benzyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H18N2O3/c16-9-12-8-14-6-7-15(12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2/t12-/m1/s1
InChI Key:
DUSWOUMCIHZHBH-GFCCVEGCSA-N
SMILES:
OC[C@H]1CNCCN1C(=O)OCc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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