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7-Methoxy-1-naphthaleneethanol

CAT: 0572-TRC-M264800-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M264800-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99416-99-6
Hazard Statement
No Data Available
Smiles
COc1ccc2cccc(CCO)c2c1
Molecular Formula
C13 H14 O2
Molecular Weight
202.249
InChI
InChI=1S/C13H14O2/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9,14H,7-8H2,1H3
Additionnal Information
IUPAC name: 2-(7-methoxynaphthalen-1-yl)ethanol
Shipping Conditions
Room Temperature

Chemical Information

2-(7-Methoxy-1-naphthyl)ethanol
CAS Number99416-99-6
PubChem CID13570065
IUPAC Name2-(7-methoxynaphthalen-1-yl)ethanol
Molecular FormulaC13H14O2
Molecular Weight202.25
XLogP2.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity193
SMILES
COC1=CC2=C(C=CC=C2CCO)C=C1
InChI
InChI=1S/C13H14O2/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9,14H,7-8H2,1H3
InChIKey
VDIFLYQCJAFOLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(7-Methoxy-1-naphthyl)ethanol
CAS: 99416-99-6
CID: 13570065
Formula: C13H14O2
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass202.099379685
Monoisotopic Mass202.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity193
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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