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148890-63-5 | 2H-1,4-Benzoxazin-3(4H)-one, 5-amino-
CAS No: 148890-63-5 Catalog No: AG001L9E MDL No:MFCD11100025
Product Description
Catalog Number:
AG001L9E
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 5-amino-
CAS Number:
148890-63-5
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD11100025
IUPAC Name:
5-amino-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H8N2O2/c9-5-2-1-3-6-8(5)10-7(11)4-12-6/h1-3H,4,9H2,(H,10,11)
InChI Key:
GXGYWLOHPYNWFE-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)c(N)ccc2
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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