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Palmitic acid-13C16

CAT: 0024-sc-257967BSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-257967BSize:500 mg
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CAS Number
56599-85-0

Chemical Information

Palmitic acid-13C16
CAS Number56599-85-0
PubChem CID16217538
IUPAC Name(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoic acid
Molecular FormulaC16H32O2
Molecular Weight272.31
XLogP6.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count18
Formal Charge0
Complexity178
SMILES
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
InChIKey
IPCSVZSSVZVIGE-BZDICNBSSA-N
Chemical Structure
2D Structure
2D structure of Palmitic acid-13C16
CAS: 56599-85-0
CID: 16217538
Formula: C16H32O2
MW: 272.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.31
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass272.29390762
Monoisotopic Mass272.29390762
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity178
Isotope Atom Count16
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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Alternative Products

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HY-N0830S6-01Palmitic acid-13C16
461981-01Palmitic Acid-​13C16
T40141-01Palmitic acid-13C16 sodium
HY-N0830BS1-01Palmitic acid-13C16 (sodium)
RG-P011201-01Palmitic Acid
HY-W011873S2Palmitoleic acid-13C16

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