CAS
90559-83-4 Purity
96%
90559-83-4 Purity
96%
![[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylicacid, 7-amino-2-(methylthio)-, ethyl ester](https://resource.alfa-chemistry.com/structure/90559-98-1.gif)
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5-Methoxy-1,3-benzenedicarboxaldehyde
CAS
90560-22-8
Catalog Number
ACM90560228
Category
Other Products
Molecular Weight
196.16
Molecular Formula
C9H8O3
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Specification
Synonyms
5-Methoxy-1,3-benzenedicarboxaldehyde;5-Methoxyisophathalic acid
IUPAC Name
5-methoxybenzene-1,3-dicarbaldehyde
Canonical SMILES
COC1=CC(=CC(=C1)C=O)C=O
InChI Key
OYFIDJNXLPYIAJ-UHFFFAOYSA-N
Melting Point
275-280ºC(lit.)
Exact Mass
164.04700
H-Bond Acceptor
3
H-Bond Donor
0
WGK Germany
3
What is the molecular formula of 5-Methoxy-1,3-benzenedicarboxaldehyde?
The molecular formula of 5-Methoxy-1,3-benzenedicarboxaldehyde is C9H8O3.
When was the compound created in PubChem?
The compound was created in PubChem on October 26, 2006.
What is the molecular weight of 5-Methoxy-1,3-benzenedicarboxaldehyde?
The molecular weight of 5-Methoxy-1,3-benzenedicarboxaldehyde is 164.16 g/mol.
What is the InChIKey of 5-Methoxy-1,3-benzenedicarboxaldehyde?
The InChIKey of 5-Methoxy-1,3-benzenedicarboxaldehyde is OYFIDJNXLPYIAJ-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 5-Methoxy-1,3-benzenedicarboxaldehyde have?
5-Methoxy-1,3-benzenedicarboxaldehyde has 3 hydrogen bond acceptor counts.
What is the exact mass of 5-Methoxy-1,3-benzenedicarboxaldehyde?
The exact mass of 5-Methoxy-1,3-benzenedicarboxaldehyde is 164.047344113 g/mol.
What is the topological polar surface area of 5-Methoxy-1,3-benzenedicarboxaldehyde?
The topological polar surface area of 5-Methoxy-1,3-benzenedicarboxaldehyde is 43.4 Ų.
How many defined bond stereocenter counts does 5-Methoxy-1,3-benzenedicarboxaldehyde have?
5-Methoxy-1,3-benzenedicarboxaldehyde has 0 defined bond stereocenter counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the complexity value of 5-Methoxy-1,3-benzenedicarboxaldehyde?
The complexity value of 5-Methoxy-1,3-benzenedicarboxaldehyde is 151.
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