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13134-10-6 | 3-Benzofurancarboxamide, octahydro-7a-methyl-2-oxo-
CAS No: 13134-10-6 Catalog No: AG000VZF MDL No:
Product Description
Catalog Number:
AG000VZF
Chemical Name:
3-Benzofurancarboxamide, octahydro-7a-methyl-2-oxo-
CAS Number:
13134-10-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
7a-methyl-2-oxo-3,3a,4,5,6,7-hexahydro-1-benzofuran-3-carboxamide
InChI:
InChI=1S/C10H15NO3/c1-10-5-3-2-4-6(10)7(8(11)12)9(13)14-10/h6-7H,2-5H2,1H3,(H2,11,12)
InChI Key:
QMEOPURJUMOBSX-UHFFFAOYSA-N
SMILES:
NC(=O)C1C(=O)OC2(C1CCCC2)C
NSC Number:
108980
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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