CAS
942474-43-3 Purity
96%
942474-43-3 Purity
96%
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4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid
CAS
942474-64-8
Catalog Number
ACM942474648
Category
Other Products
Molecular Weight
280.2784
Molecular Formula
C13H16N2O5
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Specification
Synonyms
4-(4-Carboxy-2-nitrophenyl)-2,6-dimethylmorpholine, 5-Carboxy-2-(2,6-dimethylmorpholin-4-yl)nitrobenzene
IUPAC Name
4-(2,6-dimethylmorpholin-4-yl)-3-nitrobenzoic acid
Canonical SMILES
CC1CN(CC(O1)C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
InChI Key
MTYJFJLVTITZPT-UHFFFAOYSA-N
Exact Mass
280.10600
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of the compound?
Molecular Formula: C13H16N2O5
When was the compound created and modified in the PubChem database?
Create Date: 2009-07-21
Modify Date: 2023-12-30
What is the IUPAC name of the compound?
IUPAC Name: 4-(2,6-dimethylmorpholin-4-yl)-3-nitrobenzoic acid
What is the InChIKey of the compound?
InChIKey: MTYJFJLVTITZPT-UHFFFAOYSA-N
What is the Canonical SMILES of the compound?
Canonical SMILES: CC1CN(CC(O1)C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
What is the molecular weight of the compound?
Molecular Weight: 280.28 g/mol
How many hydrogen bond donor counts does the compound have?
Hydrogen Bond Donor Count: 1
What is the hydrogen bond acceptor count of the compound?
Hydrogen Bond Acceptor Count: 6
What is the topological polar surface area of the compound?
Topological Polar Surface Area: 95.6 Ų
Is the compound canonicalized in PubChem?
Compound Is Canonicalized: Yes
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