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1443351-25-4 | Methyl 5-(3-fluorophenyl)-5-oxovalerate
CAS No: 1443351-25-4 Catalog No: AG01FCFD MDL No:
Product Description
Catalog Number:
AG01FCFD
Chemical Name:
Methyl 5-(3-fluorophenyl)-5-oxovalerate
CAS Number:
1443351-25-4
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
IUPAC Name:
methyl 5-(3-fluorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C12H13FO3/c1-16-12(15)7-3-6-11(14)9-4-2-5-10(13)8-9/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
RXPMNCMTUDOWTL-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1cccc(c1)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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