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Home > Aldehydes > 1094311-40-6
1094311-40-6 | 5-(PIPERAZIN-1-YL)FURAN-2-CARBALDEHYDE
CAS No: 1094311-40-6 Catalog No: AG01C8I7 MDL No:MFCD11180820
Product Description
Catalog Number:
AG01C8I7
Chemical Name:
5-(PIPERAZIN-1-YL)FURAN-2-CARBALDEHYDE
CAS Number:
1094311-40-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD11180820
IUPAC Name:
5-piperazin-1-ylfuran-2-carbaldehyde
InChI:
InChI=1S/C9H12N2O2/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChI Key:
ZNKMSGPIGUSWNY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCNCC1
Properties
Complexity:
181
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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