CID 69998660
PubChem CID
69998660
Structure
Molecular Formula
Status
Non-live
Molecular Weight
216.16 g/mol
Dates
- Create:2012-12-01
Chemical Structure Depiction
2-methyl-3-(2,3,6-trifluorophenyl)prop-2-enoic acid
InChI=1S/C10H7F3O2/c1-5(10(14)15)4-6-7(11)2-3-8(12)9(6)13/h2-4H,1H3,(H,14,15)
RPMUBBDGPFJCLA-UHFFFAOYSA-N
CC(=CC1=C(C=CC(=C1F)F)F)C(=O)O
C10H7F3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
216.16 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
216.03981395 g/mol
Property Name
Monoisotopic Mass
Property Value
216.03981395 g/mol
Property Name
Topological Polar Surface Area
Property Value
37.3 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
278
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
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Old substance
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CONTENTS