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87530-59-4 | Bicyclo[3.2.0]hept-6-en-2-one, 7-(diethylamino)-1,6-dimethyl-
CAS No: 87530-59-4 Catalog No: AG004DFV MDL No:
Product Description
Catalog Number:
AG004DFV
Chemical Name:
Bicyclo[3.2.0]hept-6-en-2-one, 7-(diethylamino)-1,6-dimethyl-
CAS Number:
87530-59-4
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
IUPAC Name:
7-(diethylamino)-1,6-dimethylbicyclo[3.2.0]hept-6-en-2-one
InChI:
InChI=1S/C13H21NO/c1-5-14(6-2)12-9(3)10-7-8-11(15)13(10,12)4/h10H,5-8H2,1-4H3
InChI Key:
AYAJOISXYRZNFF-UHFFFAOYSA-N
SMILES:
CCN(C1=C(C)C2C1(C)C(=O)CC2)CC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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