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Home > Aldehydes > 121247-01-6
121247-01-6 | 2-(3-Fluorophenyl);-2-oxoacetaldehyde hydrate
CAS No: 121247-01-6 Catalog No: AG003JHP MDL No:MFCD13151984
Product Description
Catalog Number:
AG003JHP
Chemical Name:
2-(3-Fluorophenyl);-2-oxoacetaldehyde hydrate
CAS Number:
121247-01-6
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
MDL Number:
MFCD13151984
IUPAC Name:
2-(3-fluorophenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C8H5FO2.H2O/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-5H;1H2
InChI Key:
VGFHAWFFIQFSRR-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1cccc(c1)F.O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
1
Isotope Atom Count:
0
Molecular Weight:
170.139g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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