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1373232-22-4 | 1-Piperazinecarboxylic acid, 2-methyl-3-oxo-, phenylmethyl ester, (2S)-
CAS No: 1373232-22-4 Catalog No: AG00134V MDL No:MFCD22201137
Product Description
Catalog Number:
AG00134V
Chemical Name:
1-Piperazinecarboxylic acid, 2-methyl-3-oxo-, phenylmethyl ester, (2S)-
CAS Number:
1373232-22-4
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD22201137
IUPAC Name:
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C13H16N2O3/c1-10-12(16)14-7-8-15(10)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)/t10-/m0/s1
InChI Key:
QGOPZRYPDFSHOY-JTQLQIEISA-N
SMILES:
C[C@H]1C(=O)NCCN1C(=O)OCc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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