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445291-56-5 | 4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-
CAS No: 445291-56-5 Catalog No: AG0071KX MDL No:
Product Description
Catalog Number:
AG0071KX
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 2-(methylphenylamino)-4-oxo-
CAS Number:
445291-56-5
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
2-(N-methylanilino)-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C17H13NO3/c1-18(12-7-3-2-4-8-12)17-14(11-19)16(20)13-9-5-6-10-15(13)21-17/h2-11H,1H3
InChI Key:
PIJHGNHIUDHMKL-UHFFFAOYSA-N
SMILES:
O=Cc1c(oc2c(c1=O)cccc2)N(c1ccccc1)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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