Chelidamic Acid Monohydrate - CAS 199926-39-1

Catalog:	BB015435
Product Name:	Chelidamic Acid Monohydrate
CAS:	199926-39-1
Synonyms:	4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate; 4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate

Technical Data

Patents

Computed Properties

IUPAC Name:	4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate
Description:	Chelidamic Acid Monohydrate (CAS# 199926-39-1) is a useful research chemical.
Molecular Weight:	201.13
Molecular Formula:	C7H7NO6
Canonical SMILES:	C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O
InChI:	InChI=1S/C7H5NO5.H2O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);1H2
InChI Key:	SNGPHFVJWBKEDG-UHFFFAOYSA-N
Appearance:	Light brown solid
MDL:	MFCD00150943
LogP:	-0.29300

Publication Number	Title	Priority Date
JP-2019116463-A	Metal organic structure and method for producing the same	20171227
US-2019194232-A1	Metal-organic framework and method of producing the same	20171227
US-11008347-B2	Metal-organic framework and method of producing the same	20171227
US-10184052-B2	Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor	20140121
US-2016304730-A1	Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor	20140121

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Complexity:	320
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.02733694
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	201.02733694
Rotatable Bond Count:	2
Topological Polar Surface Area:	105
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0