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2-Naphthaldehyde

CAT: 1489-N2480-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-N2480-03Size:100 g
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CAS Number
66-99-9
Purity
0.98

Chemical Information

2-Naphthalenecarboxaldehyde

2-naphthaldehyde is a naphthaldehyde that is naphthalene substituted by a formyl group at position 2. It has a role as a mouse metabolite.

CAS Number66-99-9
PubChem CID6201
IUPAC Namenaphthalene-2-carbaldehyde
Molecular FormulaC11H8O
Molecular Weight156.18
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
C1=CC=C2C=C(C=CC2=C1)C=O
InChI
InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
InChIKey
PJKVFARRVXDXAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthalenecarboxaldehyde
CAS: 66-99-9
CID: 6201
Formula: C11H8O
MW: 156.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight156.18
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass156.057514874
Monoisotopic Mass156.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
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