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Home > Aldehydes > 121799-26-6
121799-26-6 | Benzaldehyde, 3,3'-[1,4-butanediylbis(oxy)]bis-
CAS No: 121799-26-6 Catalog No: AG00161V MDL No:
Product Description
Catalog Number:
AG00161V
Chemical Name:
Benzaldehyde, 3,3'-[1,4-butanediylbis(oxy)]bis-
CAS Number:
121799-26-6
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
3-[4-(3-formylphenoxy)butoxy]benzaldehyde
InChI:
InChI=1S/C18H18O4/c19-13-15-5-3-7-17(11-15)21-9-1-2-10-22-18-8-4-6-16(12-18)14-20/h3-8,11-14H,1-2,9-10H2
InChI Key:
DPWLMAHEZCLAJY-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCCCCOc1cccc(c1)C=O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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