CAS
9032-08-0 Purity
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9032-08-0 Purity
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2-Carbethoxy-3-nitrobenzoic acid
CAS
90322-71-7
Catalog Number
ACM90322717
Category
Other Products
Molecular Weight
225.15
Molecular Formula
C10H9NO6
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Specification
Synonyms
2-Carbethoxy-3-nitrobenzoic acid;2-Carboxy-6-nitrobenzeneacetic acid
Density
1.594
What is the molecular formula of 2-Carbethoxy-3-nitrobenzoic acid?
The molecular formula of 2-Carbethoxy-3-nitrobenzoic acid is C10H9NO6.
When was 2-Carbethoxy-3-nitrobenzoic acid created and modified in PubChem?
2-Carbethoxy-3-nitrobenzoic acid was created on 2007-12-06 and last modified on 2023-12-30 in PubChem.
What is the IUPAC name of 2-Carbethoxy-3-nitrobenzoic acid?
The IUPAC name of 2-Carbethoxy-3-nitrobenzoic acid is 2-ethoxycarbonyl-3-nitrobenzoic acid.
What is the InChI of 2-Carbethoxy-3-nitrobenzoic acid?
The InChI of 2-Carbethoxy-3-nitrobenzoic acid is InChI=1S/C10H9NO6/c1-2-17-10(14)8-6(9(12)13)4-3-5-7(8)11(15)16/h3-5H,2H2,1H3,(H,12,13).
What is the InChIKey of 2-Carbethoxy-3-nitrobenzoic acid?
The InChIKey of 2-Carbethoxy-3-nitrobenzoic acid is ANIGGJRHTJBCOD-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Carbethoxy-3-nitrobenzoic acid?
The canonical SMILES of 2-Carbethoxy-3-nitrobenzoic acid is CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)O.
How many hydrogen bond donor counts does 2-Carbethoxy-3-nitrobenzoic acid have?
2-Carbethoxy-3-nitrobenzoic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Carbethoxy-3-nitrobenzoic acid?
The topological polar surface area of 2-Carbethoxy-3-nitrobenzoic acid is 109 Å2.
How many rotatable bond counts does 2-Carbethoxy-3-nitrobenzoic acid have?
2-Carbethoxy-3-nitrobenzoic acid has 4 rotatable bond counts.
Is 2-Carbethoxy-3-nitrobenzoic acid considered a canonicalized compound in PubChem?
Yes, 2-Carbethoxy-3-nitrobenzoic acid is considered a canonicalized compound in PubChem.
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