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77163-73-6 | 2-Pentenoic acid, 4-fluoro-3-methyl-, 1,1-dimethylethyl ester, (2E)-
CAS No: 77163-73-6 Catalog No: AG005DEX MDL No:
Product Description
Catalog Number:
AG005DEX
Chemical Name:
2-Pentenoic acid, 4-fluoro-3-methyl-, 1,1-dimethylethyl ester, (2E)-
CAS Number:
77163-73-6
Molecular Formula:
C10H17FO2
Molecular Weight:
188.2392
IUPAC Name:
tert-butyl 4-fluoro-3-methylpent-2-enoate
InChI:
InChI=1S/C10H17FO2/c1-7(8(2)11)6-9(12)13-10(3,4)5/h6,8H,1-5H3
InChI Key:
WFQCZBSOYNOYRK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)/C=C(/C(F)C)\C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.242g/mol
Monoisotopic Mass:
188.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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