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16446-36-9 | 3-methoxyisoxazole-5-carbaldehyde
CAS No: 16446-36-9 Catalog No: AG01DGRF MDL No:MFCD09909576
Product Description
Catalog Number:
AG01DGRF
Chemical Name:
3-methoxyisoxazole-5-carbaldehyde
CAS Number:
16446-36-9
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD09909576
IUPAC Name:
3-methoxy-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C5H5NO3/c1-8-5-2-4(3-7)9-6-5/h2-3H,1H3
InChI Key:
RTERJXLQLXVRLO-UHFFFAOYSA-N
SMILES:
COc1noc(c1)C=O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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