Methyl 3-hydroxyheptadecanoate

CAT: 0127-OR1063003-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063003-02Size:25 mg

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CAS Number

112538-92-8

MDL Number

MFCD02259075

Purity

98%

Smiles

CCCCCCCCCCCCCCC(O)CC(OC)=O

Chemical Information

Methyl 3-hydroxyheptadecanoate

CAS Number	112538-92-8
PubChem CID	13908558
IUPAC Name	methyl 3-hydroxyheptadecanoate
Molecular Formula	C18H36O3
Molecular Weight	300.5
XLogP	6.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	229

SMILES

CCCCCCCCCCCCCCC(CC(=O)OC)O

InChI

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

InChIKey

OJTSKRLQHYPZAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112538-92-8

CID: 13908558

Formula: C18H36O3

MW: 300.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.5
XLogP3	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	300.26644501
Monoisotopic Mass	300.26644501
Topological Polar Surface Area	46.5 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

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