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94127-36-3 | 4H-1-Benzopyran-8-carboxaldehyde, 4-oxo-2-(3-pyridinyl)-
CAS No: 94127-36-3 Catalog No: AG0067HR MDL No:
Product Description
Catalog Number:
AG0067HR
Chemical Name:
4H-1-Benzopyran-8-carboxaldehyde, 4-oxo-2-(3-pyridinyl)-
CAS Number:
94127-36-3
Molecular Formula:
C15H9NO3
Molecular Weight:
251.2369
IUPAC Name:
4-oxo-2-pyridin-3-ylchromene-8-carbaldehyde
InChI:
InChI=1S/C15H9NO3/c17-9-11-3-1-5-12-13(18)7-14(19-15(11)12)10-4-2-6-16-8-10/h1-9H
InChI Key:
IIIHOSMRFSAJEN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1oc(cc2=O)c1cccnc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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