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ML-10

CAT: 0127-PC111519-03Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC111519-03Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216897-16-3
Purity
95%
Smiles
O=C(O)C(C)(CCCCCF)C(O)=O

Chemical Information

ML-10
CAS Number1216897-16-3
PubChem CID57514438
IUPAC Name2-(5-fluoropentyl)-2-methylpropanedioic acid
Molecular FormulaC9H15FO4
Molecular Weight206.21
XLogP1.8
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
CC(CCCCCF)(C(=O)O)C(=O)O
InChI
InChI=1S/C9H15FO4/c1-9(7(11)12,8(13)14)5-3-2-4-6-10/h2-6H2,1H3,(H,11,12)(H,13,14)
InChIKey
BOYGOAXVKOOCKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML-10
CAS: 1216897-16-3
CID: 57514438
Formula: C9H15FO4
MW: 206.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.21
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass206.09543712
Monoisotopic Mass206.09543712
Topological Polar Surface Area74.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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