Palmitic-16-13C acid

CAT: 0572-TRC-P144609-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-P144609-10MGSize:10 mg

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CAS Number

158045-29-5

Hazard Statement

No Data Available

Smiles

[13CH3]CCCCCCCCCCCCCCC(O)=O

Molecular Formula

C15 13C H32 O2

Molecular Weight

257.42

Chemical Information

Palmitic acid-16-13C

CAS Number	158045-29-5
PubChem CID	12358538
IUPAC Name	(1613C)hexadecanoic acid
Molecular Formula	C16H32O2
Molecular Weight	257.42
XLogP	6.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	18
Formal Charge	0
Complexity	178

SMILES

[13CH3]CCCCCCCCCCCCCCC(=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

InChIKey

IPCSVZSSVZVIGE-OUBTZVSYSA-N

Chemical Structure

2D Structure

CAS: 158045-29-5

CID: 12358538

Formula: C16H32O2

MW: 257.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.42
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	257.243585095
Monoisotopic Mass	257.243585095
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	178
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes