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897949-51-8 | 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-4-(3-methoxypropyl)-
CAS No: 897949-51-8 Catalog No: AG003ZOA MDL No:
Product Description
Catalog Number:
AG003ZOA
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-amino-4-(3-methoxypropyl)-
CAS Number:
897949-51-8
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
6-amino-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C12H16N2O3/c1-16-6-2-5-14-10-7-9(13)3-4-11(10)17-8-12(14)15/h3-4,7H,2,5-6,8,13H2,1H3
InChI Key:
ZKMSAPYUGAWUGJ-UHFFFAOYSA-N
SMILES:
COCCCN1C(=O)COc2c1cc(N)cc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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