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179331-04-5 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 7-amino-
CAS No: 179331-04-5 Catalog No: AG0026YH MDL No:
Product Description
Catalog Number:
AG0026YH
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 7-amino-
CAS Number:
179331-04-5
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
7-amino-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H6N2O3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,9H2,(H,10,12)
InChI Key:
GBYOVJPPABNNPV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)[nH]c(=O)oc2=O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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