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61157-72-0 | 2,3-Dihydro-[1,4]oxazine-4-carbaldehyde
CAS No: 61157-72-0 Catalog No: AG01EWND MDL No:
Product Description
Catalog Number:
AG01EWND
Chemical Name:
2,3-Dihydro-[1,4]oxazine-4-carbaldehyde
CAS Number:
61157-72-0
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
2,3-dihydro-1,4-oxazine-4-carbaldehyde
InChI:
InChI=1S/C5H7NO2/c7-5-6-1-3-8-4-2-6/h1,3,5H,2,4H2
InChI Key:
WRBGTFLHDVXZKT-UHFFFAOYSA-N
SMILES:
C1COC=CN1C=O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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