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Home > Fluorides > 101560-16-1
101560-16-1 | 2-Pentenoic acid, 2-fluoro-4,4-dimethyl-, ethyl ester, (2Z)-
CAS No: 101560-16-1 Catalog No: AG0004SK MDL No:
Product Description
Catalog Number:
AG0004SK
Chemical Name:
2-Pentenoic acid, 2-fluoro-4,4-dimethyl-, ethyl ester, (2Z)-
CAS Number:
101560-16-1
Molecular Formula:
C9H15FO2
Molecular Weight:
174.2126
IUPAC Name:
ethyl 2-fluoro-4,4-dimethylpent-2-enoate
InChI:
InChI=1S/C9H15FO2/c1-5-12-8(11)7(10)6-9(2,3)4/h6H,5H2,1-4H3
InChI Key:
PZCXJLJARQANBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C(C)(C)C)/F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.215g/mol
Monoisotopic Mass:
174.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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