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1624260-17-8 | 2-Piperazinecarboxylic acid, phenylmethyl ester
CAS No: 1624260-17-8 Catalog No: AG001T31 MDL No:MFCD28125620
Product Description
Catalog Number:
AG001T31
Chemical Name:
2-Piperazinecarboxylic acid, phenylmethyl ester
CAS Number:
1624260-17-8
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD28125620
IUPAC Name:
benzyl piperazine-2-carboxylate
InChI:
InChI=1S/C12H16N2O2/c15-12(11-8-13-6-7-14-11)16-9-10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
InChI Key:
LYJQBOWGZFNRSI-UHFFFAOYSA-N
SMILES:
O=C(C1NCCNC1)OCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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