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1-Hydroxy-4-methoxy-2-naphthoic acid

CAT: 0931-TN11022-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11022-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108170-53-2
Target
Others
Related Pathways
Others
Bioactivity
1-Hydroxy-4-methoxy-2-naphthoic acid is a herbicidal compound.
Smiles
O=C(O)C=1C=C(OC)C=2C=CC=CC2C1O
Molecular Formula
C12H10O4
Molecular Weight
218.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Hydroxy-4-methoxy-2-naphthoic acid

1-Hydroxy-4-methoxy-2-naphthoic acid is a naphthoic acid.

CAS Number108170-53-2
PubChem CID15430821
IUPAC Name1-hydroxy-4-methoxynaphthalene-2-carboxylic acid
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP2.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity266
SMILES
COC1=CC(=C(C2=CC=CC=C21)O)C(=O)O
InChI
InChI=1S/C12H10O4/c1-16-10-6-9(12(14)15)11(13)8-5-3-2-4-7(8)10/h2-6,13H,1H3,(H,14,15)
InChIKey
CAXOIULERYZINL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-4-methoxy-2-naphthoic acid
CAS: 108170-53-2
CID: 15430821
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
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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