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Home > Aldehydes > 878661-13-3
878661-13-3 | (3-Fluoro-6-methoxyphenyl)acetaldehyde
CAS No: 878661-13-3 Catalog No: AG01EY4P MDL No:
Product Description
Catalog Number:
AG01EY4P
Chemical Name:
(3-Fluoro-6-methoxyphenyl)acetaldehyde
CAS Number:
878661-13-3
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
IUPAC Name:
2-(5-fluoro-2-methoxyphenyl)acetaldehyde
InChI:
InChI=1S/C9H9FO2/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,5-6H,4H2,1H3
InChI Key:
DRGICVCSLCAAIX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC=O)F
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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