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Home > Aldehydes > 1428730-05-5
1428730-05-5 | 7-(Diethylamino)-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-3-carboxaldehyde
CAS No: 1428730-05-5 Catalog No: AG01ENKT MDL No:
Product Description
Catalog Number:
AG01ENKT
Chemical Name:
7-(Diethylamino)-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-3-carboxaldehyde
CAS Number:
1428730-05-5
Molecular Formula:
C21H21NO4
Molecular Weight:
351.3957
IUPAC Name:
7-(diethylamino)-4-(4-methoxyphenyl)-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C21H21NO4/c1-4-22(5-2)15-8-11-17-19(12-15)26-21(24)18(13-23)20(17)14-6-9-16(25-3)10-7-14/h6-13H,4-5H2,1-3H3
InChI Key:
GOYKALWTTJFRLM-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2c1ccc(cc1)OC)C=O)CC
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.402g/mol
Monoisotopic Mass:
351.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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