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23245-04-7 | Benzeneacetic acid, compd. with 1-phenylpiperazine (1:1)
CAS No: 23245-04-7 Catalog No: AG002MNK MDL No:
Product Description
Catalog Number:
AG002MNK
Chemical Name:
Benzeneacetic acid, compd. with 1-phenylpiperazine (1:1)
CAS Number:
23245-04-7
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
IUPAC Name:
2-phenylacetic acid;1-phenylpiperazine
InChI:
InChI=1S/C10H14N2.C8H8O2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;9-8(10)6-7-4-2-1-3-5-7/h1-5,11H,6-9H2;1-5H,6H2,(H,9,10)
InChI Key:
DNFADVVFRPPBIC-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccccc1.OC(=O)Cc1ccccc1
NSC Number:
110639
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.386g/mol
Monoisotopic Mass:
298.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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