CAS
90347-90-3 Purity
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90347-90-3 Purity
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4,5-Dinitrophthalic acid
CAS
90348-28-0
Catalog Number
ACM90348280
Category
Other Products
Molecular Weight
256.13
Molecular Formula
C8H4N2O8
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Specification
Synonyms
4,5-DINITROPHTHALIC ACID;4,5-DINITRO ISOPHTHALIC ACID;1,2-Benzenedicarboxylicacid, 4,5-dinitro-
IUPAC Name
4,5-dinitrophthalic acid
Canonical SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O
InChI Key
MJJVUJBKOFXFJW-UHFFFAOYSA-N
Boiling Point
551ºC at 760 mmHg
Flash Point
243.3ºC
Density
1.853g/cm³
Exact Mass
255.99700
H-Bond Acceptor
8
H-Bond Donor
2
What is the molecular formula of 4,5-Dinitrophthalic acid?
The molecular formula of 4,5-Dinitrophthalic acid is C8H4N2O8.
When was 4,5-Dinitrophthalic acid created in PubChem?
4,5-Dinitrophthalic acid was created in PubChem on 2007-12-05.
What is the IUPAC name of 4,5-Dinitrophthalic acid?
The IUPAC name of 4,5-Dinitrophthalic acid is 4,5-dinitrophthalic acid.
What is the InChIKey of 4,5-Dinitrophthalic acid?
The InChIKey of 4,5-Dinitrophthalic acid is MJJVUJBKOFXFJW-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 4,5-Dinitrophthalic acid?
The Canonical SMILES representation of 4,5-Dinitrophthalic acid is C1=C(C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O.
What is the molecular weight of 4,5-Dinitrophthalic acid?
The molecular weight of 4,5-Dinitrophthalic acid is 256.13 g/mol.
How many hydrogen bond donor counts does 4,5-Dinitrophthalic acid have?
4,5-Dinitrophthalic acid has 2 hydrogen bond donor counts.
What is the exact mass of 4,5-Dinitrophthalic acid?
The exact mass of 4,5-Dinitrophthalic acid is 255.99676509 g/mol.
How many rotatable bond counts does 4,5-Dinitrophthalic acid have?
4,5-Dinitrophthalic acid has 2 rotatable bond counts.
Is 4,5-Dinitrophthalic acid a canonicalized compound in PubChem?
Yes, 4,5-Dinitrophthalic acid is a canonicalized compound in PubChem.
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