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Home > Fluorides > 113425-72-2
113425-72-2 | 2-Pentenoic acid, 2-fluoro-4-methyl-, (2E)-
CAS No: 113425-72-2 Catalog No: AG0008K9 MDL No:MFCD19228836
Product Description
Catalog Number:
AG0008K9
Chemical Name:
2-Pentenoic acid, 2-fluoro-4-methyl-, (2E)-
CAS Number:
113425-72-2
Molecular Formula:
C6H9FO2
Molecular Weight:
132.1329
MDL Number:
MFCD19228836
IUPAC Name:
2-fluoro-4-methylpent-2-enoic acid
InChI:
InChI=1S/C6H9FO2/c1-4(2)3-5(7)6(8)9/h3-4H,1-2H3,(H,8,9)
InChI Key:
VLTPEXOVJIWAIE-UHFFFAOYSA-N
SMILES:
CC(/C=C(\C(=O)O)/F)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.134g/mol
Monoisotopic Mass:
132.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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