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Home > Fluorides > 100701-52-8
100701-52-8 | Propanedioic acid, 2-ethyl-2-fluoro-, 1-methyl ester
CAS No: 100701-52-8 Catalog No: AG0002O2 MDL No:
Product Description
Catalog Number:
AG0002O2
Chemical Name:
Propanedioic acid, 2-ethyl-2-fluoro-, 1-methyl ester
CAS Number:
100701-52-8
Molecular Formula:
C6H8FO4-
Molecular Weight:
163.1237
IUPAC Name:
2-fluoro-2-methoxycarbonylbutanoate
InChI:
InChI=1S/C6H9FO4/c1-3-6(7,4(8)9)5(10)11-2/h3H2,1-2H3,(H,8,9)/p-1
InChI Key:
ZXVDURWNSWCPQQ-UHFFFAOYSA-M
SMILES:
COC(=O)C(C(=O)[O-])(CC)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.041g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.124g/mol
Monoisotopic Mass:
163.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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