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57666-87-2 | 5-[4-(Benzyloxy)phenyl]-2-furaldehyde
CAS No: 57666-87-2 Catalog No: AG01EWIM MDL No:
Product Description
Catalog Number:
AG01EWIM
Chemical Name:
5-[4-(Benzyloxy)phenyl]-2-furaldehyde
CAS Number:
57666-87-2
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
5-(4-phenylmethoxyphenyl)furan-2-carbaldehyde
InChI:
InChI=1S/C18H14O3/c19-12-17-10-11-18(21-17)15-6-8-16(9-7-15)20-13-14-4-2-1-3-5-14/h1-12H,13H2
InChI Key:
ZRGMZWBOPHDROI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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