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7-Methoxy-1-naphthaldehyde

CAT: 0572-TRC-M321070-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M321070-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158365-55-0
Hazard Statement
Harmful if swallowed
Smiles
COc1ccc2cccc(C=O)c2c1
Molecular Formula
C12 H10 O2
Molecular Weight
186.207
InChI
InChI=1S/C12H10O2/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-8H,1H3
Additionnal Information
IUPAC name: 7-methoxynaphthalene-1-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

7-Methoxy-1-naphthaldehyde
CAS Number158365-55-0
PubChem CID15788279
IUPAC Name7-methoxynaphthalene-1-carbaldehyde
Molecular FormulaC12H10O2
Molecular Weight186.21
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity202
SMILES
COC1=CC2=C(C=CC=C2C=O)C=C1
InChI
InChI=1S/C12H10O2/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-8H,1H3
InChIKey
WYDUFXRPFJPXGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxy-1-naphthaldehyde
CAS: 158365-55-0
CID: 15788279
Formula: C12H10O2
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass186.068079557
Monoisotopic Mass186.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity202
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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