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Home > Aldehydes > 820986-28-5
820986-28-5 | 2H-Pyran-4-carboxaldehyde, 2-oxo-3-phenyl-
CAS No: 820986-28-5 Catalog No: AG008JTC MDL No:
Product Description
Catalog Number:
AG008JTC
Chemical Name:
2H-Pyran-4-carboxaldehyde, 2-oxo-3-phenyl-
CAS Number:
820986-28-5
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
IUPAC Name:
2-oxo-3-phenylpyran-4-carbaldehyde
InChI:
InChI=1S/C12H8O3/c13-8-10-6-7-15-12(14)11(10)9-4-2-1-3-5-9/h1-8H
InChI Key:
XWGHFIAFKVRGSM-UHFFFAOYSA-N
SMILES:
O=Cc1ccoc(=O)c1c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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