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137488-42-7 | 4H-3,1-Benzoxazin-4-one, 1-(2,3-dimethylphenyl)-2-ethoxy-1,2-dihydro-
CAS No: 137488-42-7 Catalog No: AG0013CR MDL No:
Product Description
Catalog Number:
AG0013CR
Chemical Name:
4H-3,1-Benzoxazin-4-one, 1-(2,3-dimethylphenyl)-2-ethoxy-1,2-dihydro-
CAS Number:
137488-42-7
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
1-(2,3-dimethylphenyl)-2-ethoxy-2H-3,1-benzoxazin-4-one
InChI:
InChI=1S/C18H19NO3/c1-4-21-18-19(15-11-7-8-12(2)13(15)3)16-10-6-5-9-14(16)17(20)22-18/h5-11,18H,4H2,1-3H3
InChI Key:
CLLUZALCHGEPLY-UHFFFAOYSA-N
SMILES:
CCOC1OC(=O)c2c(N1c1cccc(c1C)C)cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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