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885952-54-5 | 1-(1,2-oxazol-3-ylmethyl)piperazine
CAS No: 885952-54-5 Catalog No: AG01AJOB MDL No:MFCD06738163
Product Description
Catalog Number:
AG01AJOB
Chemical Name:
1-(1,2-oxazol-3-ylmethyl)piperazine
CAS Number:
885952-54-5
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD06738163
IUPAC Name:
3-(piperazin-1-ylmethyl)-1,2-oxazole
InChI:
InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChI Key:
VJMTXOUUYNPWLF-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1ccon1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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