3-Hydroxyoctadecanoic Acid

CAT: 0127-OR1011007-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1011007-02Size:1 g

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CAS Number

17773-30-7

MDL Number

MFCD00192880

Purity

98%

Smiles

CCCCCCCCCCCCCCCC(O)CC(O)=O

Chemical Information

3-Hydroxyoctadecanoic acid

3-hydroxyoctadecanoic acid is a hydroxyoctadecanoic acid and a 3-hydroxy monocarboxylic acid. It is a conjugate acid of a 3-hydroxyoctadecanoate.

CAS Number	17773-30-7
PubChem CID	5282907
IUPAC Name	3-hydroxyoctadecanoic acid
Molecular Formula	C18H36O3
Molecular Weight	300.5
XLogP	6.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	229

SMILES

CCCCCCCCCCCCCCCC(CC(=O)O)O

InChI

InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)

InChIKey

POMQYTSPMKEQNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17773-30-7

CID: 5282907

Formula: C18H36O3

MW: 300.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.5
XLogP3	6.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	300.26644501
Monoisotopic Mass	300.26644501
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	229
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
MBS392368-01	3-Hydroxyoctadecanoic Acid
TRC-H943060-1G	rac-3-Hydroxyoctadecanoic Acid
MBS392367-01	2-Hydroxyoctadecanoic Acid
MBS392376-01	12-Hydroxyoctadecanoic Acid
MBS3920172-01	8-Hydroxyoctadecanoic acid
TRC-H297005-100MG	5-Hydroxyoctadecanoic Acid
014205	3-Hydroxyoctadecanoic Acid Methyl Ester
TRC-H296775-100MG	6-Hydroxyoctadecanoic Acid
JH263083	9-hydroxyoctadecanoic acid
T84221-01	18-hydroxyoctadecanoic acid