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1443304-64-0 | 4-Methyl-3-n-pentoxybenzaldehyde
CAS No: 1443304-64-0 Catalog No: AG01FEPA MDL No:
Product Description
Catalog Number:
AG01FEPA
Chemical Name:
4-Methyl-3-n-pentoxybenzaldehyde
CAS Number:
1443304-64-0
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
4-methyl-3-pentoxybenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-3-4-5-8-15-13-9-12(10-14)7-6-11(13)2/h6-7,9-10H,3-5,8H2,1-2H3
InChI Key:
YUMBFMIRBUEXKO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1OCCCCC)C=O
Properties
Complexity:
179
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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