CAS
95192-56-6 Purity
96%
95192-56-6 Purity
96%
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Benzoic acid,4-methoxy-2,6-dinitro-
CAS
95192-59-9
Catalog Number
ACM95192599
Category
Other Products
Molecular Weight
242.14
Molecular Formula
C8H6 N2 O7
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Specification
Synonyms
4-METHOXY-2,6-DINITROBENZOIC ACID
IUPAC Name
4-methoxy-2,6-dinitrobenzoic acid
Canonical SMILES
COC1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
InChI Key
DHLQYRJLNSXMPW-UHFFFAOYSA-N
Boiling Point
436.4ºC at 760mmHg
Flash Point
217.7ºC
Density
1.618g/cm³
Exact Mass
242.01800
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 4-methoxy-2,6-dinitrobenzoic acid?
The molecular formula is C8H6N2O7.
What is the molecular weight of 4-methoxy-2,6-dinitrobenzoic acid?
The molecular weight is 242.14 g/mol.
When was the structure of 4-methoxy-2,6-dinitrobenzoic acid created and last modified in PubChem?
It was created on 2005-07-19 and last modified on 2023-12-30.
What are some synonyms for 4-methoxy-2,6-dinitrobenzoic acid?
Some synonyms include 4-methoxy-2,6-dinitrobenzoic acid and DTXSID10376607.
What is the IUPAC name of 4-methoxy-2,6-dinitrobenzoic acid?
The IUPAC name is 4-methoxy-2,6-dinitrobenzoic acid.
What is the InChI of 4-methoxy-2,6-dinitrobenzoic acid?
The InChI is InChI=1S/C8H6N2O7/c1-17-4-2-5(9(13)14)7(8(11)12)6(3-4)10(15)16/h2-3H,1H3,(H,11,12).
How many hydrogen bond donor counts does 4-methoxy-2,6-dinitrobenzoic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 4-methoxy-2,6-dinitrobenzoic acid?
The topological polar surface area is 138 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the XLogP3-AA value of 4-methoxy-2,6-dinitrobenzoic acid?
The XLogP3-AA value is 1.1.
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