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1018254-91-5 | 2H-1,4-Benzoxazin-3(4H)-one, 8-amino-4-methyl-
CAS No: 1018254-91-5 Catalog No: AG0005NE MDL No:MFCD09998374
Product Description
Catalog Number:
AG0005NE
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 8-amino-4-methyl-
CAS Number:
1018254-91-5
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD09998374
IUPAC Name:
8-amino-4-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H10N2O2/c1-11-7-4-2-3-6(10)9(7)13-5-8(11)12/h2-4H,5,10H2,1H3
InChI Key:
TYHFSDSZRQLYEF-UHFFFAOYSA-N
SMILES:
CN1C(=O)COc2c1cccc2N
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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