CAS
98995-83-6 Purity
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98995-83-6 Purity
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4-Pyridinecarboxylicacid, 1,2-dihydro-1-methyl-2-oxo-, ethyl ester
CAS
98996-29-3
Catalog Number
ACM98996293
Category
Other Products
Molecular Weight
181.18854
Molecular Formula
C9H11 N O3
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Specification
Synonyms
98996-29-3, ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate, 1-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER, NSC21089, SureCN6219930, AC1L5G45, CTK5I0160, MolPort-020-167-481, NSC-21089, AG-I-00740, AK145385, ethyl 1-methyl-2-oxopyridine-4-carboxylate, EN300-81887
IUPAC Name
ethyl 1-methyl-2-oxopyridine-4-carboxylate
Canonical SMILES
CCOC(=O)C1=CC(=O)N(C=C1)C
InChI Key
INXGWUMBWHECGK-UHFFFAOYSA-N
Boiling Point
319.2ºC at 760 mmHg
Flash Point
146.8ºC
Density
1.186 g/cm³
Exact Mass
181.07400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C9H11NO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 181.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 1-methyl-2-oxopyridine-4-carboxylate.
What is the InChIKey of the compound?
The InChIKey of the compound is INXGWUMBWHECGK-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 46.6 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 CAS number of the compound?
The CAS number of the compound is 98996-29-3.
What is the NSC Number of the compound?
The NSC Number of the compound is 21089.
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