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Home > Aldehydes > 885465-98-5
885465-98-5 | Benzaldehyde,4-(3-furanyl)-
CAS No: 885465-98-5 Catalog No: AG004CQG MDL No:MFCD19612482
Product Description
Catalog Number:
AG004CQG
Chemical Name:
Benzaldehyde,4-(3-furanyl)-
CAS Number:
885465-98-5
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
MDL Number:
MFCD19612482
IUPAC Name:
3-(4-formylphenyl)furan-2-carbaldehyde
InChI:
InChI=1S/C12H8O3/c13-7-9-1-3-10(4-2-9)11-5-6-15-12(11)8-14/h1-8H
InChI Key:
RZTMEQDWGXNUPG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccoc1C=O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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