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213273-03-1 | 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-2-(phenylamino)-
CAS No: 213273-03-1 Catalog No: AG007QSY MDL No:
Product Description
Catalog Number:
AG007QSY
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-2-(phenylamino)-
CAS Number:
213273-03-1
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
2-anilino-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C16H11NO3/c18-10-13-15(19)12-8-4-5-9-14(12)20-16(13)17-11-6-2-1-3-7-11/h1-10,17H
InChI Key:
WZIRZJDPPIXKEY-UHFFFAOYSA-N
SMILES:
O=Cc1c(Nc2ccccc2)oc2c(c1=O)cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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