6-Phenoxy-4-hexyn-3-ol

CAT: 0127-OR1089682-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1089682-01Size:250 mg

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

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CAS Number

27760-40-3

Purity

95%

Smiles

O (CC#CC (CC) O) c1ccccc1

Chemical Information

6-Phenoxy-4-hexyn-3-ol

CAS Number	27760-40-3
PubChem CID	130126906
IUPAC Name	6-phenoxyhex-4-yn-3-ol
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

CCC(C#CCOC1=CC=CC=C1)O

InChI

InChI=1S/C12H14O2/c1-2-11(13)7-6-10-14-12-8-4-3-5-9-12/h3-5,8-9,11,13H,2,10H2,1H3

InChIKey

CBJXTBBMRAIELL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27760-40-3

CID: 130126906

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.099379685
Monoisotopic Mass	190.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
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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