CAS
910041-10-0 Purity
96%
910041-10-0 Purity
96%
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3,4-DIMETHOXY-5-NITRO-BENZOIC ACID
CAS
91004-48-7
Catalog Number
ACM91004487
Category
Other Products
Molecular Weight
227.17
Molecular Formula
C9H9NO6
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Specification
Synonyms
3,4-DIMETHOXY-5-NITRO-BENZOIC ACID
What is the molecular formula of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The molecular formula is C9H9NO6.
When was 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID created and last modified in PubChem?
It was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The IUPAC name is 3,4-dimethoxy-5-nitrobenzoic acid.
What is the InChI of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The InChI is InChI=1S/C9H9NO6/c1-15-7-4-5(9(11)12)3-6(10(13)14)8(7)16-2/h3-4H,1-2H3,(H,11,12).
What is the InChIKey of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The InChIKey is GQNSKXYALDGGGN-UHFFFAOYSA-N.
What is the Canonical SMILES of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The Canonical SMILES is COC1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)O.
What is the molecular weight of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The molecular weight is 227.17 g/mol.
How many hydrogen bond acceptors are there in 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
There are six hydrogen bond acceptors.
What is the topological polar surface area of 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID?
The topological polar surface area is 102 Ų.
Is 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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