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Home > Aldehydes > 174415-54-4
174415-54-4 | [2,2':5',2''-Terfuran]-5-carboxaldehyde (9CI)
CAS No: 174415-54-4 Catalog No: AG001ZNC MDL No:
Product Description
Catalog Number:
AG001ZNC
Chemical Name:
[2,2':5',2''-Terfuran]-5-carboxaldehyde (9CI)
CAS Number:
174415-54-4
Molecular Formula:
C13H8O4
Molecular Weight:
228.2002
IUPAC Name:
5-[5-(furan-2-yl)furan-2-yl]furan-2-carbaldehyde
InChI:
InChI=1S/C13H8O4/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-8H
InChI Key:
HLLCZMFWUKEZOI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc(o1)c1ccco1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.203g/mol
Monoisotopic Mass:
228.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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