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6-Acetyl-7-hydroxytetralin

CAT: 0024-sc-291166Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-291166Size:250 mg
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CAS Number
40420-05-1

Chemical Information

1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CAS Number40420-05-1
PubChem CID10943271
IUPAC Name1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Molecular FormulaC12H14O2
Molecular Weight190.24
XLogP3.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity224
SMILES
CC(=O)C1=C(C=C2CCCCC2=C1)O
InChI
InChI=1S/C12H14O2/c1-8(13)11-6-9-4-2-3-5-10(9)7-12(11)14/h6-7,14H,2-5H2,1H3
InChIKey
LNZONKXKXBWZDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CAS: 40420-05-1
CID: 10943271
Formula: C12H14O2
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass190.099379685
Monoisotopic Mass190.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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