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116356-67-3 | Propanoic acid, 3,3-diethoxy-2-fluoro-, ethyl ester
CAS No: 116356-67-3 Catalog No: AG000CA8 MDL No:
Product Description
Catalog Number:
AG000CA8
Chemical Name:
Propanoic acid, 3,3-diethoxy-2-fluoro-, ethyl ester
CAS Number:
116356-67-3
Molecular Formula:
C9H17FO4
Molecular Weight:
208.2273
IUPAC Name:
ethyl 3,3-diethoxy-2-fluoropropanoate
InChI:
InChI=1S/C9H17FO4/c1-4-12-8(11)7(10)9(13-5-2)14-6-3/h7,9H,4-6H2,1-3H3
InChI Key:
ZYHXCFAJUNJDIV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(OCC)OCC)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.229g/mol
Monoisotopic Mass:
208.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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