CAS
926-55-6 Purity
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926-55-6 Purity
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3-Acetamidopyrazinecarboxylic acid methyl ester
CAS
92660-47-4
Catalog Number
ACM92660474
Category
Other Products
Molecular Weight
195.17536
Molecular Formula
C8H9N3O3
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Specification
Synonyms
3-Acetamidopyrazinecarboxylic acid methyl ester
IUPAC Name
methyl 3-acetamidopyrazine-2-carboxylate
SMILES
CC(=O)NC1=NC=CN=C1C(=O)OC
InChI Key
HTBWRPNYWQZOBA-UHFFFAOYSA-N
Exact Mass
195.06400
H-Bond Acceptor
5
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 3-acetamidopyrazine-2-carboxylate.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H9N3O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 195.18 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H9N3O3/c1-5(12)11-7-6(8(13)14-2)9-3-4-10-7/h3-4H,1-2H3,(H,10,11,12).
What is the InChIKey of the compound?
The InChIKey of the compound is HTBWRPNYWQZOBA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(=O)NC1=NC=CN=C1C(=O)OC.
What is the CAS number of the compound?
The CAS number of the compound is 92660-47-4.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 1.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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