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77694-21-4 | N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-1-ADAMANTANECARBOXAMIDE
CAS No: 77694-21-4 Catalog No: AG005GJL MDL No:
Product Description
Catalog Number:
AG005GJL
Chemical Name:
N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-1-ADAMANTANECARBOXAMIDE
CAS Number:
77694-21-4
Molecular Formula:
C17H25NO3
Molecular Weight:
291.3853
IUPAC Name:
N-(5,5-dimethyl-2-oxooxolan-3-yl)adamantane-1-carboxamide
InChI:
InChI=1S/C17H25NO3/c1-16(2)9-13(14(19)21-16)18-15(20)17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,3-9H2,1-2H3,(H,18,20)
InChI Key:
CQJVJQSDDBROOJ-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1NC(=O)C12CC3CC(C2)CC(C1)C3)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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