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1443350-53-5 | 2-[(n-Pentyloxy)methyl]benzaldehyde
CAS No: 1443350-53-5 Catalog No: AG01FDYV MDL No:
Product Description
Catalog Number:
AG01FDYV
Chemical Name:
2-[(n-Pentyloxy)methyl]benzaldehyde
CAS Number:
1443350-53-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-(pentoxymethyl)benzaldehyde
InChI:
InChI=1S/C13H18O2/c1-2-3-6-9-15-11-13-8-5-4-7-12(13)10-14/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChI Key:
RDNFFHMZHHQPDL-UHFFFAOYSA-N
SMILES:
CCCCCOCc1ccccc1C=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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