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FEMA 2200

CAT: 0931-T84086-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T84086-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7779-80-8
Target
Others
Related Pathways
Others
Purity
0.9897
Bioactivity
FEMA 2200 (Isobutyl heptanoate) is a fragrance.
Smiles
O=C(OCC(C)C)CCCCCC
Molecular Formula
C11H22O2
Molecular Weight
186.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isobutyl heptanoate

Isobutyl enanthate is a fatty acid ester.

CAS Number7779-80-8
PubChem CID24516
IUPAC Name2-methylpropyl heptanoate
Molecular FormulaC11H22O2
Molecular Weight186.29
XLogP3.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity130
SMILES
CCCCCCC(=O)OCC(C)C
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
InChIKey
HXJOYVPESRRCDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl heptanoate
CAS: 7779-80-8
CID: 24516
Formula: C11H22O2
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass186.161979940
Monoisotopic Mass186.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity130
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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