CAS
921938-75-2 Purity
96%
921938-75-2 Purity
96%
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2H-Pyrido[3,2-b]-1,4-oxazine-7-carboxaldehyde,3,4-dihydro-4-methyl-
CAS
921938-80-9
Catalog Number
ACM921938809
Category
Other Products
Molecular Weight
178.19
Molecular Formula
C9H10 N2 O2
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Specification
Synonyms
3,4-Dihydro-7-formyl-4-methyl-2H-pyrido[3,2-b][1,4]oxazine
IUPAC Name
4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde
Canonical SMILES
CN1CCOC2=C1N=CC(=C2)C=O
InChI Key
CVHLHSUUCRUZHB-UHFFFAOYSA-N
Boiling Point
368.7ºC at 760 mmHg
Melting Point
93-94ºC
Flash Point
176.8ºC
Density
1.243g/cm³
Exact Mass
178.07400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound referenced?
The molecular formula of the compound referenced is C9H10N2O2.
When was the compound created and modified according to the reference?
The compound was created on February 29, 2008, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H10N2O2/c1-11-2-3-13-8-4-7(6-12)5-10-9(8)11/h4-6H,2-3H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is CVHLHSUUCRUZHB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.5.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 42.4 Ų.
What is the heavy atom count of the compound?
The heavy atom count of the compound is 13.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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