12-Tridecyn-1-ol

CAT: 0127-OR1103014-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1103014-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

18202-11-4

MDL Number

MFCD07780279

Purity

95%

Smiles

C#CCCCCCCCCCCCO

Chemical Information

Tridec-12-yn-1-ol

CAS Number	18202-11-4
PubChem CID	13619557
IUPAC Name	tridec-12-yn-1-ol
Molecular Formula	C13H24O
Molecular Weight	196.33
XLogP	4.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Heavy Atom Count	14
Formal Charge	0
Complexity	143

SMILES

C#CCCCCCCCCCCCO

InChI

InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1,14H,3-13H2

InChIKey

XDKDILSPAPQFEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18202-11-4

CID: 13619557

Formula: C13H24O

MW: 196.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.33
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	196.182715385
Monoisotopic Mass	196.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	143
Isotope Atom Count	0
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