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14486-48-7 | 2-Furoic acid, compd. with piperazine (1:1) (8CI)
CAS No: 14486-48-7 Catalog No: AG001K8N MDL No:
Product Description
Catalog Number:
AG001K8N
Chemical Name:
2-Furoic acid, compd. with piperazine (1:1) (8CI)
CAS Number:
14486-48-7
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
furan-2-carboxylic acid;piperazine
InChI:
InChI=1S/C5H4O3.C4H10N2/c6-5(7)4-2-1-3-8-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2
InChI Key:
FCCPVZFAFVBXIM-UHFFFAOYSA-N
SMILES:
C1CNCCN1.OC(=O)c1ccco1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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