CAS
902139-76-8 Purity
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902139-76-8 Purity
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1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid
CAS
902171-53-3
Catalog Number
ACM902171533
Category
Other Products
Molecular Weight
167.161960 [g/mol]
Molecular Formula
C8H9NO3
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Specification
Synonyms
1,2-DIMETHYL-4-OXO-1,4-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID, 902171-53-3, AKOS006322895
IUPAC Name
1,2-dimethyl-4-oxopyridine-3-carboxylic acid
Canonical SMILES
CC1=C(C(=O)C=CN1C)C(=O)O
InChI Key
IMBSFSVOMKOTCW-UHFFFAOYSA-N
Exact Mass
167.05800
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The molecular formula is C8H9NO3.
What is the molecular weight of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The molecular weight is 167.16 g/mol.
What is the IUPAC name of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name is 1,2-dimethyl-4-oxopyridine-3-carboxylic acid.
What is the InChI of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The InChI is InChI=1S/C8H9NO3/c1-5-7(8(11)12)6(10)3-4-9(5)2/h3-4H,1-2H3,(H,11,12).
What is the InChIKey of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is IMBSFSVOMKOTCW-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The Canonical SMILES is CC1=C(C(=O)C=CN1C)C(=O)O.
What is the XLogP3-AA value of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The XLogP3-AA value is 0.9.
How many hydrogen bond donor counts does 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?
The topological polar surface area is 57.6 Ų.
Is 1,2-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid the canonicalized compound?
Yes, it is the canonicalized compound.
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