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39560-31-1 | Methyl 4-(4-fluorophenyl);-4-oxobutanoate
CAS No: 39560-31-1 Catalog No: AG003RTO MDL No:MFCD03090514
Product Description
Catalog Number:
AG003RTO
Chemical Name:
Methyl 4-(4-fluorophenyl);-4-oxobutanoate
CAS Number:
39560-31-1
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
MDL Number:
MFCD03090514
IUPAC Name:
methyl 4-(4-fluorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C11H11FO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChI Key:
WVLOAJPINXKMAW-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1ccc(cc1)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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