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Menadiol

CAT: 0127-OR1001929-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1001929-03Size:50 mg
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CAS Number
481-85-6
Purity
97%
Smiles
CC1=C(C2=CC=CC=C2C(=C1)O)O

Chemical Information

Menadiol

Menadiol is a naphthalene-1,4-diol having a methyl substituent at the 2-position. It is a member of naphthalenediols, a member of methylnaphthalenes and a naphthohydroquinone. It is functionally related to a naphthalene-1,4-diol.

CAS Number481-85-6
PubChem CID10209
IUPAC Name2-methylnaphthalene-1,4-diol
Molecular FormulaC11H10O2
Molecular Weight174.20
XLogP2.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
CC1=C(C2=CC=CC=C2C(=C1)O)O
InChI
InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKey
ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Menadiol
CAS: 481-85-6
CID: 10209
Formula: C11H10O2
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass174.068079557
Monoisotopic Mass174.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
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