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4-Hydroxynaphthalene-1-carboxamide

CAT: 0926-UFC98768-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UFC98768-01Size:50 mg
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CAS Number
1394987-68-8
MDL Number
MFCD23111158
Smiles
C1=CC=C2C (=C1) C (=CC=C2O) C (=O) N
Molecular Formula
C11H9NO2
Molecular Weight
187.19 g/mol
Controlled
No

Chemical Information

4-Hydroxynaphthalene-1-carboxamide
CAS Number1394987-68-8
PubChem CID18188469
IUPAC Name4-hydroxynaphthalene-1-carboxamide
Molecular FormulaC11H9NO2
Molecular Weight187.19
XLogP2.2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)C(=O)N
InChI
InChI=1S/C11H9NO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14)
InChIKey
VRSVTWYELDAUTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxynaphthalene-1-carboxamide
CAS: 1394987-68-8
CID: 18188469
Formula: C11H9NO2
MW: 187.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight187.19
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass187.063328530
Monoisotopic Mass187.063328530
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
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