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4-methoxynaphthalen-1-ol

CAT: 1731-AP KR 0593-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-AP KR 0593-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84-85-5
MDL Number
MFCD00003976
Purity
0.95
Smiles
COc1ccc (O) c2ccccc12
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

4-Methoxy-1-naphthol

4-Methoxy-1-naphthol is a member of naphthols.

CAS Number84-85-5
PubChem CID66542
IUPAC Name4-methoxynaphthalen-1-ol
Molecular FormulaC11H10O2
Molecular Weight174.20
XLogP3.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
COC1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
InChIKey
BOTGCZBEERTTDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-1-naphthol
CAS: 84-85-5
CID: 66542
Formula: C11H10O2
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass174.068079557
Monoisotopic Mass174.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
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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