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1007649-71-9 | Acetamide, N-[3,4-dihydro-3-oxo-4-(2-propen-1-yl)-2H-1,4-benzoxazin-6-yl]-
CAS No: 1007649-71-9 Catalog No: AG0002U3 MDL No:
Product Description
Catalog Number:
AG0002U3
Chemical Name:
Acetamide, N-[3,4-dihydro-3-oxo-4-(2-propen-1-yl)-2H-1,4-benzoxazin-6-yl]-
CAS Number:
1007649-71-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)acetamide
InChI:
InChI=1S/C13H14N2O3/c1-3-6-15-11-7-10(14-9(2)16)4-5-12(11)18-8-13(15)17/h3-5,7H,1,6,8H2,2H3,(H,14,16)
InChI Key:
BHGBKPDFDLFWQC-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)COc2c1cc(cc2)NC(=O)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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