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Home > Aldehydes > 156744-09-1
156744-09-1 | Benzaldehyde, 2,4-dipropoxy-
CAS No: 156744-09-1 Catalog No: AG001OYM MDL No:MFCD02647349
Product Description
Catalog Number:
AG001OYM
Chemical Name:
Benzaldehyde, 2,4-dipropoxy-
CAS Number:
156744-09-1
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD02647349
IUPAC Name:
2,4-dipropoxybenzaldehyde
InChI:
InChI=1S/C13H18O3/c1-3-7-15-12-6-5-11(10-14)13(9-12)16-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChI Key:
MVOWILXGBBQBMR-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)OCCC)C=O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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