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2,3-Naphthalenedicarboxaldehyde

CAT: 0931-T67771-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T67771-01Size:25 mg
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CAS Number
7149-49-7
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Purity
0.9831
Bioactivity
2,3-Naphthalenedicarboxaldehyde (Naphthalene-2,3-dicarboxaldehyde) is an inhibitor of aspartate semialdehyde dehydrogenase with Ki of 45 μM.
Smiles
O=Cc1cc2ccccc2cc1C=O
Molecular Formula
C12H8O2
Molecular Weight
184.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3-Naphthalenedicarboxaldehyde

used in colorimetric determination of cholesterol; RN from CA Form Index Vol 90; N1 same as NM

CAS Number7149-49-7
PubChem CID96400
IUPAC Namenaphthalene-2,3-dicarbaldehyde
Molecular FormulaC12H8O2
Molecular Weight184.19
XLogP2.1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity200
SMILES
C1=CC=C2C=C(C(=CC2=C1)C=O)C=O
InChI
InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H
InChIKey
ZIPLKLQPLOWLTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Naphthalenedicarboxaldehyde
CAS: 7149-49-7
CID: 96400
Formula: C12H8O2
MW: 184.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.19
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass184.052429494
Monoisotopic Mass184.052429494
Topological Polar Surface Area34.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity200
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