CAS
929696 Purity
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929696 Purity
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1,2-Benzenedicarboxylicacid,3,4-dinitro-
CAS
92971-15-8
Catalog Number
ACM92971158
Category
Other Products
Molecular Weight
256.13
Molecular Formula
C8H4N2O8
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Specification
Synonyms
3,4-DINITRO-1,2-BENZENEDICARBOXYLIC ACID
IUPAC Name
3,4-dinitrophthalic acid
Canonical SMILES
C1=CC(=C(C(=C1C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChI Key
NYZQQLVKJQGAPT-UHFFFAOYSA-N
Boiling Point
532.7ºC at 760mmHg
Flash Point
235.5ºC
Density
1.853g/cm³
Exact Mass
255.99700
H-Bond Acceptor
8
H-Bond Donor
2
What is the molecular formula of 1,2-Benzenedicarboxylicacid,3,4-dinitro according to the reference?
The molecular formula is C8H4N2O8.
What are some synonyms of 1,2-Benzenedicarboxylicacid,3,4-dinitro as listed in the reference?
Some synonyms include 3,4-Dinitro-1,2-benzenedicarboxylic acid and 3,4-Dinitrophthalic acid.
When was 1,2-Benzenedicarboxylicacid,3,4-dinitro created and modified in PubChem?
It was created on 2007-12-04 and last modified on 2023-12-30.
What is the IUPAC Name of 1,2-Benzenedicarboxylicacid,3,4-dinitro according to the reference?
The IUPAC Name is 3,4-dinitrophthalic acid.
What is the InChIKey of 1,2-Benzenedicarboxylicacid,3,4-dinitro as computed by PubChem?
The InChIKey is NYZQQLVKJQGAPT-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 1,2-Benzenedicarboxylicacid,3,4-dinitro?
The Canonical SMILES is C1=CC(=C(C(=C1C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-].
What is the CAS identifier for 1,2-Benzenedicarboxylicacid,3,4-dinitro?
The CAS identifier is 92971-15-8.
What is the XLogP3 value of 1,2-Benzenedicarboxylicacid,3,4-dinitro as computed in PubChem?
The XLogP3 value is 0.6.
How many hydrogen bond acceptor counts are there in 1,2-Benzenedicarboxylicacid,3,4-dinitro?
There are 8 hydrogen bond acceptor counts.
Is the compound canonicalized as per PubChem data?
Yes, the compound is canonicalized according to PubChem.
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