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141068-81-7 | 2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl-
CAS No: 141068-81-7 Catalog No: AG001FU1 MDL No:MFCD06659594
Product Description
Catalog Number:
AG001FU1
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl-
CAS Number:
141068-81-7
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD06659594
IUPAC Name:
7-amino-4-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H10N2O2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
InChI Key:
JVYJTIARQJQCKK-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)OCC(=O)N2C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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