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2-Methoxy-3-methylpentanal

CAT: 0926-PZC07282-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PZC07282-01Size:50 mg
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CAS Number
1864072-82-1
MDL Number
MFCD29034109
Smiles
CCC (C) C (C=O) OC
Molecular Formula
C7H14O2
Molecular Weight
130.18 g/mol
Controlled
No

Chemical Information

2-Methoxy-3-methylpentanal
CAS Number1864072-82-1
PubChem CID58640306
IUPAC Name2-methoxy-3-methylpentanal
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP1.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity81
SMILES
CCC(C)C(C=O)OC
InChI
InChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3
InChIKey
RGNLXKQOCWDZPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-3-methylpentanal
CAS: 1864072-82-1
CID: 58640306
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity81
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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