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2-Hydroxy-1-naphthaldehyde

CAT: 0926-FH02093-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FH02093-01Size:0.25 kg
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CAS Number
708-06-5
MDL Number
MFCD00004005
Smiles
Oc1ccc2ccccc2c1C=O
Molecular Formula
C11H8O2
Molecular Weight
172.18 g/mol
Controlled
No

Chemical Information

2-Hydroxy-1-naphthaldehyde

2-hydroxy-1-naphthaldehyde is a member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). It is a member of naphthols and a member of naphthaldehydes.

CAS Number708-06-5
PubChem CID12819
IUPAC Name2-hydroxynaphthalene-1-carbaldehyde
Molecular FormulaC11H8O2
Molecular Weight172.18
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity191
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=O)O
InChI
InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKey
NTCCNERMXRIPTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-1-naphthaldehyde
CAS: 708-06-5
CID: 12819
Formula: C11H8O2
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass172.052429494
Monoisotopic Mass172.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
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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