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6-Methoxy-2-naphthoic Acid

CAT: 0572-TRC-M264755-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M264755-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2471-70-7
Synonyms
Naproxen Imp. O (EP); Naproxen USP Related Compound A; Naproxen USP RC A; 2-Carboxy-6-methoxynaphthalene; Naproxen Related Compound A; Naproxen Impurity O
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1ccc2cc(ccc2c1)C(=O)O
Molecular Formula
C12 H10 O3
Molecular Weight
202.21
InChI
InChI=1S/C12H10O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H,13,14)
Additionnal Information
IUPAC name: 6-methoxynaphthalene-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

6-Methoxy-2-Naphthoic Acid

6-Methoxy-2-naphthoic acid is a naphthoic acid.

CAS Number2471-70-7
PubChem CID349181
IUPAC Name6-methoxynaphthalene-2-carboxylic acid
Molecular FormulaC12H10O3
Molecular Weight202.21
XLogP3.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity239
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C12H10O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H,13,14)
InChIKey
YZBILXXOZFORFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-2-Naphthoic Acid
CAS: 2471-70-7
CID: 349181
Formula: C12H10O3
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass202.062994177
Monoisotopic Mass202.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity239
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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