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(3R) -3-methylpentanoic acid

CAT: 1266-JH171898Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH171898Size:1 Each
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CAS Number
16958-25-1
HS Code
2933990099
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C6H12O2
Molecular Weight
116.16
Product Name Synonym
Pentanoic acid, 3-methyl-, (R) -
Safety Statements
S26-S36/37/39-S45

Chemical Information

Npc15061
CAS Number16958-25-1
PubChem CID853471
IUPAC Name(3R)-3-methylpentanoic acid
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP1.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
CC[C@@H](C)CC(=O)O
InChI
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKey
IGIDLTISMCAULB-RXMQYKEDSA-N
Chemical Structure
2D Structure
2D structure of Npc15061
CAS: 16958-25-1
CID: 853471
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.6
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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