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18327-02-1 | 2H-Pyran-5-carboxaldehyde, 2-oxo-
CAS No: 18327-02-1 Catalog No: AG0027G6 MDL No:
Product Description
Catalog Number:
AG0027G6
Chemical Name:
2H-Pyran-5-carboxaldehyde, 2-oxo-
CAS Number:
18327-02-1
Molecular Formula:
C6H4O3
Molecular Weight:
124.0942
IUPAC Name:
6-oxopyran-3-carbaldehyde
InChI:
InChI=1S/C6H4O3/c7-3-5-1-2-6(8)9-4-5/h1-4H
InChI Key:
VTGOUKMVDWWFAV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(=O)oc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.095g/mol
Monoisotopic Mass:
124.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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