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146726-13-8 | 3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, 2,4-dioxo-3-(phenylmethyl)-, ethyl ester
CAS No: 146726-13-8 Catalog No: AG001E9Q MDL No:
Product Description
Catalog Number:
AG001E9Q
Chemical Name:
3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, 2,4-dioxo-3-(phenylmethyl)-, ethyl ester
CAS Number:
146726-13-8
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
InChI:
InChI=1S/C15H15NO4/c1-2-20-15(19)12-10-11(12)14(18)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3
InChI Key:
SFFQYGDIFWFUAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C2C1C(=O)N(C2=O)Cc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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