CAS
95192-60-2 Purity
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95192-60-2 Purity
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Benzoic acid,2-methoxy-4,6-dinitro-
CAS
95192-63-5
Catalog Number
ACM95192635
Category
Other Products
Molecular Weight
242.14
Molecular Formula
C8H6 N2 O7
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Specification
Synonyms
2-METHOXY-4,6-DINITROBENZOIC ACID
IUPAC Name
2-methoxy-4,6-dinitrobenzoic acid
Canonical SMILES
COC1=CC(=CC(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
InChI Key
MGQICJSVBWHOSN-UHFFFAOYSA-N
Boiling Point
453.9ºC at 760mmHg
Flash Point
228.3ºC
Density
1.618g/cm³
Exact Mass
242.01800
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of Benzoic acid, 2-methoxy-4,6-dinitro?
The molecular formula of Benzoic acid, 2-methoxy-4,6-dinitro is C8H6N2O7.
When was Benzoic acid, 2-methoxy-4,6-dinitro created in the PubChem database?
Benzoic acid, 2-methoxy-4,6-dinitro was created in the PubChem database on 2005-07-19.
What is the molecular weight of Benzoic acid, 2-methoxy-4,6-dinitro?
The molecular weight of Benzoic acid, 2-methoxy-4,6-dinitro is 242.14 g/mol.
What is the InChIKey for Benzoic acid, 2-methoxy-4,6-dinitro?
The InChIKey for Benzoic acid, 2-methoxy-4,6-dinitro is MGQICJSVBWHOSN-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Benzoic acid, 2-methoxy-4,6-dinitro have?
Benzoic acid, 2-methoxy-4,6-dinitro has 7 hydrogen bond acceptors.
Is Benzoic acid, 2-methoxy-4,6-dinitro considered a canonical compound?
Yes, Benzoic acid, 2-methoxy-4,6-dinitro is considered a canonical compound.
What is the XLogP3 value for Benzoic acid, 2-methoxy-4,6-dinitro?
The XLogP3 value for Benzoic acid, 2-methoxy-4,6-dinitro is 0.2.
How many defined bond stereocenters does Benzoic acid, 2-methoxy-4,6-dinitro have?
Benzoic acid, 2-methoxy-4,6-dinitro has 0 defined bond stereocenters.
What is the topological polar surface area of Benzoic acid, 2-methoxy-4,6-dinitro?
The topological polar surface area of Benzoic acid, 2-methoxy-4,6-dinitro is 138 Å2.
What is the exact mass of Benzoic acid, 2-methoxy-4,6-dinitro?
The exact mass of Benzoic acid, 2-methoxy-4,6-dinitro is 242.01750053 g/mol.
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