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123573-16-0 | Acetamide, N-(1,3-dihydro-1,1-dimethyl-3-oxo-4-isobenzofuranyl)-
CAS No: 123573-16-0 Catalog No: AG000KTD MDL No:
Product Description
Catalog Number:
AG000KTD
Chemical Name:
Acetamide, N-(1,3-dihydro-1,1-dimethyl-3-oxo-4-isobenzofuranyl)-
CAS Number:
123573-16-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
N-(1,1-dimethyl-3-oxo-2-benzofuran-4-yl)acetamide
InChI:
InChI=1S/C12H13NO3/c1-7(14)13-9-6-4-5-8-10(9)11(15)16-12(8,2)3/h4-6H,1-3H3,(H,13,14)
InChI Key:
VXMVMOOVIAVYOE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc2c1C(=O)OC2(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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