6-Heptyn-1-ol

CAT: 0024-sc-483222Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-483222Size:1 g

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CAS Number

63478-76-2

Chemical Information

6-Heptyn-1-ol

CAS Number	63478-76-2
PubChem CID	11007849
IUPAC Name	hept-6-yn-1-ol
Molecular Formula	C7H12O
Molecular Weight	112.17
XLogP	1.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	77

SMILES

C#CCCCCCO

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h1,8H,3-7H2

InChIKey

BVRCLEXKQNWTDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63478-76-2

CID: 11007849

Formula: C7H12O

MW: 112.17

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	112.17
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	112.088815002
Monoisotopic Mass	112.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	77.6
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