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1153907-60-8 | 1-Piperazineacetic acid, 4-[(phenylmethoxy)carbonyl]-
CAS No: 1153907-60-8 Catalog No: AG000FWQ MDL No:MFCD13720327
Product Description
Catalog Number:
AG000FWQ
Chemical Name:
1-Piperazineacetic acid, 4-[(phenylmethoxy)carbonyl]-
CAS Number:
1153907-60-8
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD13720327
IUPAC Name:
2-(4-phenylmethoxycarbonylpiperazin-1-yl)acetic acid
InChI:
InChI=1S/C14H18N2O4/c17-13(18)10-15-6-8-16(9-7-15)14(19)20-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChI Key:
STKKSISOELEKGJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)CC(=O)O)OCc1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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