CAS
933722-39-5 Purity
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933722-39-5 Purity
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2-Hydroxy-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carboxylic acid methyl ester
CAS
933722-83-9
Catalog Number
ACM933722839
Category
Other Products
Molecular Weight
208.213880 [g/mol]
Molecular Formula
C10H12N2O3
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Specification
Synonyms
2-Hydroxy-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carboxylic acid methyl ester;Methyl 2-hydroxy-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carboxylate
IUPAC Name
methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
Canonical SMILES
COC(=O)C1=CC2=C(CCNC2)NC1=O
InChI Key
YTVZYKZWTPUAMR-UHFFFAOYSA-N
Boiling Point
419.656ºC at 760 mmHg
Flash Point
207.601ºC
Density
1.287g/cm³
Exact Mass
208.08500
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C10H12N2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 208.21 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H12N2O3/c1-15-10(14)7-4-6-5-11-3-2-8(6)12-9(7)13/h4,11H,2-3,5H2,1H3,(H,12,13).
What is the InChIKey of the compound?
The InChIKey of the compound is YTVZYKZWTPUAMR-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1=CC2=C(CCNC2)NC1=O.
What is the CAS number of the compound?
The CAS number of the compound is 933722-83-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -0.8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
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