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Home > Other Heterocycles > 66504-35-6
66504-35-6 | 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No: 66504-35-6 Catalog No: AG00IZJC MDL No:MFCD24555818
Product Description
Catalog Number:
AG00IZJC
Chemical Name:
1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
66504-35-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD24555818
IUPAC Name:
1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C12H11NO3/c1-16-8-4-2-7(3-5-8)12-6-9(12)10(14)13-11(12)15/h2-5,9H,6H2,1H3,(H,13,14,15)
InChI Key:
NFGZVNREIPIDST-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C12CC2C(=O)NC1=O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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