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114577-40-1 | 2H-1-Benzopyran-2-one, 4,6-dimethyl-3-[(methylphenylamino)methyl]-
CAS No: 114577-40-1 Catalog No: AG000EQA MDL No:
Product Description
Catalog Number:
AG000EQA
Chemical Name:
2H-1-Benzopyran-2-one, 4,6-dimethyl-3-[(methylphenylamino)methyl]-
CAS Number:
114577-40-1
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
IUPAC Name:
4,6-dimethyl-3-[(N-methylanilino)methyl]chromen-2-one
InChI:
InChI=1S/C19H19NO2/c1-13-9-10-18-16(11-13)14(2)17(19(21)22-18)12-20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChI Key:
RYHYVHHZTZNTBF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C)c(c(=O)o2)CN(c1ccccc1)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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