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5392-12-1 | 2-Methoxy-1-naphthaldehyde
CAS No: 5392-12-1 Catalog No: AG003B8S MDL No:MFCD00004004
Product Description
Catalog Number:
AG003B8S
Chemical Name:
2-Methoxy-1-naphthaldehyde
CAS Number:
5392-12-1
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD00004004
IUPAC Name:
2-methoxynaphthalene-1-carbaldehyde
InChI:
InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3
InChI Key:
YIQGLTKAOHRZOL-UHFFFAOYSA-N
SMILES:
O=Cc1c(OC)ccc2c1cccc2
EC Number:
226-392-5
UNII:
7Q7TX7TB9E
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity. | Journal of medicinal chemistry 20140522 |
| 4-(2-Chloro-anilino)-3-phenyl-furan-2(5H)-one. | Acta crystallographica. Section E, Structure reports online 20111101 |
| N'-[(2-Methoxynaphthalen-1-yl)methyl-idene]-4-methyl-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20111101 |
| 3-Chloro-N'-[(2-meth-oxy-naphthalen-1-yl)methyl-idene]benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20110201 |
| N'-(2-Meth-oxy-1-naphthyl-idene)nicotino-hydrazide. | Acta crystallographica. Section E, Structure reports online 20100301 |
| 2-Methoxy-naphthalene-1-carbaldehyde. | Acta crystallographica. Section E, Structure reports online 20090501 |
| 2-Hydr-oxy-N'-(2-methoxy-naphthyl-idene)benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20080901 |
| 4-Meth-oxy-N'-(2-methoxy-naphthyl-idene)benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20080901 |
| Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060201 |
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