CAS
98996-05-5 Purity
96%
98996-05-5 Purity
96%
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4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CAS
98996-38-4
Catalog Number
ACM98996384
Category
Other Products
Molecular Weight
181.188540 [g/mol]
Molecular Formula
C9H11NO3
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Specification
Synonyms
Ambcb4028823, CTK5I0162, MolPort-016-631-196, AKOS006295528, AG-I-00742, BB 0219296, 4,5,6-Trimethyl-2-oxo-1,2-dihydro-pyridine-3- carboxylic acid, 4,5,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID, 98996-38-4
IUPAC Name
4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI Key
COJZFUMHUMQNEF-UHFFFAOYSA-N
Boiling Point
393.7ºC at 760 mmHg
Flash Point
191.9ºC
Density
1.209g/cm³
Exact Mass
181.07400
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The molecular formula is C9H11NO3.
What is the molecular weight of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The molecular weight is 181.19 g/mol.
When was the PubChem CID of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid created?
The PubChem CID was created on 2007-12-05.
What is the IUPAC name of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The IUPAC name is 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the InChI of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
InChI=1S/C9H11NO3/c1-4-5(2)7(9(12)13)8(11)10-6(4)3/h1-3H3,(H,10,11)(H,12,13).
What is the Canonical SMILES of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The Canonical SMILES is CC1=C(NC(=O)C(=C1C)C(=O)O)C.
How many hydrogen bond donor counts does 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid?
The topological polar surface area is 66.4 Å2.
Does 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
Is 4,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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