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Home > Aldehydes > 820986-24-1
820986-24-1 | 2H-Pyran-4-carboxaldehyde, 3-methyl-2-oxo-
CAS No: 820986-24-1 Catalog No: AG004WWL MDL No:
Product Description
Catalog Number:
AG004WWL
Chemical Name:
2H-Pyran-4-carboxaldehyde, 3-methyl-2-oxo-
CAS Number:
820986-24-1
Molecular Formula:
C7H6O3
Molecular Weight:
138.1207
IUPAC Name:
3-methyl-2-oxopyran-4-carbaldehyde
InChI:
InChI=1S/C7H6O3/c1-5-6(4-8)2-3-10-7(5)9/h2-4H,1H3
InChI Key:
NAEYUOIQSWAXOO-UHFFFAOYSA-N
SMILES:
O=Cc1ccoc(=O)c1C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.122g/mol
Monoisotopic Mass:
138.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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