CAS
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2-[(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]benzenecarboxylic acid
Catalog Number
ACMA00002998
Category
Ethers
Molecular Weight
297.26
Molecular Formula
C7H16O
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Specification
Hazard Statements
H302-H412
RIDADR
UN 3146 6.1 / PGII
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C16H11NO5.
When was the compound created and last modified in PubChem?
The compound was created on 2005-07-12 and last modified on 2023-11-25 in PubChem.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzoic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 297.26 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is FPGWDOSSOOODIX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.7.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 92.7 Ų.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular formula of the compound described in the reference?
The molecular formula is C16H11NO5.
What is the InChI key of the compound?
The InChI key is FPGWDOSSOOODIX-UHFFFAOYSA-N.
Does the compound have any defined atom stereocenter counts?
No, the compound has 0 defined atom stereocenter counts.
What is the CAS number of the compound?
The CAS number is 26513-80-4.
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