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216384-70-2 | 4-[(n-Hexyloxy)methyl]benzaldehyde
CAS No: 216384-70-2 Catalog No: AG01FE96 MDL No:
Product Description
Catalog Number:
AG01FE96
Chemical Name:
4-[(n-Hexyloxy)methyl]benzaldehyde
CAS Number:
216384-70-2
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
4-(hexoxymethyl)benzaldehyde
InChI:
InChI=1S/C14H20O2/c1-2-3-4-5-10-16-12-14-8-6-13(11-15)7-9-14/h6-9,11H,2-5,10,12H2,1H3
InChI Key:
UDKZXEZARJJBBN-UHFFFAOYSA-N
SMILES:
CCCCCCOCc1ccc(cc1)C=O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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