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Home > Other Heterocycles > 88905-29-7
88905-29-7 | 3-Azabicyclo[3.2.0]heptan-7-one, 1-(3-methoxyphenyl)-3-methyl-
CAS No: 88905-29-7 Catalog No: AG004918 MDL No:
Product Description
Catalog Number:
AG004918
Chemical Name:
3-Azabicyclo[3.2.0]heptan-7-one, 1-(3-methoxyphenyl)-3-methyl-
CAS Number:
88905-29-7
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
5-(3-methoxyphenyl)-3-methyl-3-azabicyclo[3.2.0]heptan-6-one
InChI:
InChI=1S/C14H17NO2/c1-15-8-11-7-13(16)14(11,9-15)10-4-3-5-12(6-10)17-2/h3-6,11H,7-9H2,1-2H3
InChI Key:
VDOONFHZSIUWEA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C12CN(CC2CC1=O)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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