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Home > Aldehydes > 825633-07-6
825633-07-6 | Naphtho[1,2-b]furan-3-carboxaldehyde, 2-(4-acetylphenyl)-5-hydroxy-
CAS No: 825633-07-6 Catalog No: AG0053O5 MDL No:
Product Description
Catalog Number:
AG0053O5
Chemical Name:
Naphtho[1,2-b]furan-3-carboxaldehyde, 2-(4-acetylphenyl)-5-hydroxy-
CAS Number:
825633-07-6
Molecular Formula:
C21H14O4
Molecular Weight:
330.3335
IUPAC Name:
2-(4-acetylphenyl)-5-hydroxybenzo[g][1]benzofuran-3-carbaldehyde
InChI:
InChI=1S/C21H14O4/c1-12(23)13-6-8-14(9-7-13)20-18(11-22)17-10-19(24)15-4-2-3-5-16(15)21(17)25-20/h2-11,24H,1H3
InChI Key:
KZRPAKUXNBKCMO-UHFFFAOYSA-N
SMILES:
O=Cc1c(oc2c1cc(O)c1c2cccc1)c1ccc(cc1)C(=O)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.339g/mol
Monoisotopic Mass:
330.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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