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119378-70-0 | 1-Piperazineacetic acid, 4-phenyl-
CAS No: 119378-70-0 Catalog No: AG000IOC MDL No:MFCD05668054
Product Description
Catalog Number:
AG000IOC
Chemical Name:
1-Piperazineacetic acid, 4-phenyl-
CAS Number:
119378-70-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD05668054
IUPAC Name:
2-(4-phenylpiperazin-1-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c15-12(16)10-13-6-8-14(9-7-13)11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,15,16);1H
InChI Key:
QCIYPWMAGHVMQC-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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