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1191096-28-2 | Cyclobutanepropanoic acid, 3,3-difluoro-β-oxo-, methyl ester
CAS No: 1191096-28-2 Catalog No: AG000I7P MDL No:MFCD17015923
Product Description
Catalog Number:
AG000I7P
Chemical Name:
Cyclobutanepropanoic acid, 3,3-difluoro-β-oxo-, methyl ester
CAS Number:
1191096-28-2
Molecular Formula:
C8H10F2O3
Molecular Weight:
192.1600
MDL Number:
MFCD17015923
IUPAC Name:
methyl 3-(3,3-difluorocyclobutyl)-3-oxopropanoate
InChI:
InChI=1S/C8H10F2O3/c1-13-7(12)2-6(11)5-3-8(9,10)4-5/h5H,2-4H2,1H3
InChI Key:
DKSDUHFMMFAWKE-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C1CC(C1)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.162g/mol
Monoisotopic Mass:
192.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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