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26215-14-5 | 2H-1,4-Benzoxazin-3(4H)-one, 7-amino-
CAS No: 26215-14-5 Catalog No: AG002SAH MDL No:MFCD03425794
Product Description
Catalog Number:
AG002SAH
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 7-amino-
CAS Number:
26215-14-5
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD03425794
IUPAC Name:
7-amino-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H8N2O2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4,9H2,(H,10,11)
InChI Key:
RUZXDTHZHJTTRO-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)ccc(c2)N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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