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2858-77-7 | Acetic acid, 2-(8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-, ethyl ester
CAS No: 2858-77-7 Catalog No: AG002VR7 MDL No:
Product Description
Catalog Number:
AG002VR7
Chemical Name:
Acetic acid, 2-(8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-, ethyl ester
CAS Number:
2858-77-7
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
ethyl 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetate
InChI:
InChI=1S/C12H19NO2/c1-3-15-12(14)8-9-6-10-4-5-11(7-9)13(10)2/h8,10-11H,3-7H2,1-2H3
InChI Key:
SQNOQCVPMVYWBB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CC2CCC(C1)N2C
NSC Number:
715573
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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