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Vitamin K3

CAT: 0024-sc-205990ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-205990ASize:25 g
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CAS Number
58-27-5

Chemical Information

Menadione

Menadione is a member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an antineoplastic agent, an angiogenesis inhibitor, a nutraceutical and a human urinary metabolite. It is a member of 1,4-naphthoquinones and a vitamin K.

CAS Number58-27-5
PubChem CID4055
IUPAC Name2-methylnaphthalene-1,4-dione
Molecular FormulaC11H8O2
Molecular Weight172.18
XLogP2.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity288
SMILES
CC1=CC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
InChIKey
MJVAVZPDRWSRRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Menadione
CAS: 58-27-5
CID: 4055
Formula: C11H8O2
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass172.052429494
Monoisotopic Mass172.052429494
Topological Polar Surface Area34.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity288
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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