AC1MKD88 structure

AC1MKD88

methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate

Also Known As: BAS 07093628|methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)benzoate|NCGC00336599-01|J1.674.590A|AB01329987-02|AM-807/13103116|SR-01000452738-1|methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate|methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromen-4-yl)ben zoate|4-(2-Amino-3-cyano-5-oxo-7,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoic acid methyl ester

CAS: 354554-72-6
Molecular Formula C20H20N2O4
Molecular Weight 352.1423 g/mol
LogP 2.92408
Topological Polar Surface Area 102.41 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 352.1423
Monoisotopic Mass 352.1423
Heavy Atoms 26
Complexity 885.3814

Chemical Identifiers

CAS Number 354554-72-6
SMILES CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C

Product Overview

AC1MKD88 (CAS 354554-72-6), with molecular formula C20H20N2O4 and molecular weight 352.1423 g/mol. IUPAC: methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate.

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