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145785-77-9 | Methanone, bis(3,4-dihydro-3-methyl-2H-1,3-benzoxazin-6-yl)-
CAS No: 145785-77-9 Catalog No: AG001DEB MDL No:
Product Description
Catalog Number:
AG001DEB
Chemical Name:
Methanone, bis(3,4-dihydro-3-methyl-2H-1,3-benzoxazin-6-yl)-
CAS Number:
145785-77-9
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
bis(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)methanone
InChI:
InChI=1S/C19H20N2O3/c1-20-9-15-7-13(3-5-17(15)23-11-20)19(22)14-4-6-18-16(8-14)10-21(2)12-24-18/h3-8H,9-12H2,1-2H3
InChI Key:
AMLMSZDLLKILMT-UHFFFAOYSA-N
SMILES:
CN1COc2c(C1)cc(cc2)C(=O)c1ccc2c(c1)CN(CO2)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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