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Home > Aldehydes > 872725-47-8
872725-47-8 | Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)-
CAS No: 872725-47-8 Catalog No: AG004LT4 MDL No:
Product Description
Catalog Number:
AG004LT4
Chemical Name:
Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)-
CAS Number:
872725-47-8
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
IUPAC Name:
5-fluoro-2-hydroxy-3-(hydroxymethyl)benzaldehyde
InChI:
InChI=1S/C8H7FO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-3,11-12H,4H2
InChI Key:
NGVGIIDXNRIPDD-UHFFFAOYSA-N
SMILES:
OCc1cc(F)cc(c1O)C=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.139g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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