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40172-95-0 | 1-(2-Furoyl)piperazine
CAS No: 40172-95-0 Catalog No: AG003CUF MDL No:MFCD00038831
Product Description
Catalog Number:
AG003CUF
Chemical Name:
1-(2-Furoyl)piperazine
CAS Number:
40172-95-0
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00038831
IUPAC Name:
furan-2-yl(piperazin-1-yl)methanone
InChI:
InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChI Key:
SADPINFEWFPMEA-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)N1CCNCC1
EC Number:
254-823-7
UNII:
8AUX72LL1P
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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