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59702-21-5 | 1-Benzylpiperazin-2-one
CAS No: 59702-21-5 Catalog No: AG003DZG MDL No:MFCD04038519
Product Description
Catalog Number:
AG003DZG
Chemical Name:
1-Benzylpiperazin-2-one
CAS Number:
59702-21-5
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD04038519
IUPAC Name:
1-benzylpiperazin-2-one
InChI:
InChI=1S/C11H14N2O/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChI Key:
BNPCRHWMJSUKDM-UHFFFAOYSA-N
SMILES:
O=C1CNCCN1Cc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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