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Home > Aldehydes > 400748-81-4
400748-81-4 | 3-(5-CARBOXYFURAN-2-YL)BENZALDEHYDE
CAS No: 400748-81-4 Catalog No: AG0075TX MDL No:
Product Description
Catalog Number:
AG0075TX
Chemical Name:
3-(5-CARBOXYFURAN-2-YL)BENZALDEHYDE
CAS Number:
400748-81-4
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
5-(3-formylphenyl)furan-2-carboxylic acid
InChI:
InChI=1S/C12H8O4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-7H,(H,14,15)
InChI Key:
SXOFEMGZZUPVOF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc(o1)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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