9-Hydroxyhexadecanoic acid

CAT: 0127-OR1063090-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063090-01Size:25 mg

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CAS Number

17833-52-2

Purity

98%

Smiles

CCCCCCCC(O)CCCCCCCC(O)=O

Chemical Information

9-Hydroxyhexadecanoic acid

CAS Number	17833-52-2
PubChem CID	15569772
IUPAC Name	9-hydroxyhexadecanoic acid
Molecular Formula	C16H32O3
Molecular Weight	272.42
XLogP	5.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	204

SMILES

CCCCCCCC(CCCCCCCC(=O)O)O

InChI

InChI=1S/C16H32O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)

InChIKey

LMLPQXIASCHLIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17833-52-2

CID: 15569772

Formula: C16H32O3

MW: 272.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.42
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	272.23514488
Monoisotopic Mass	272.23514488
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
418347-01	2-Hydroxyhexadecanoic Acid
MBS392354-01	3-Hydroxyhexadecanoic Acid
RM-O050306-01	10-Hydroxyhexadecanoic Acid
FH73274-01	16-Hydroxyhexadecanoic acid
GTR19278419-01	8-hydroxyhexadecanoic acid
HY-W718422-01	6-Hydroxyhexadecanoic acid
HY-166046-01	3 (R) -Hydroxyhexadecanoic acid
HY-W068212R-01	16-Hydroxyhexadecanoic acid (Standard)
AR-F09753-01	16-Hydroxyhexadecanoic Acid-13C4
HY-W718420	7 (R) -Hydroxyhexadecanoic acid