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Home > Other Heterocycles > 919288-18-9
919288-18-9 | Benzoic acid, 4-(3-azabicyclo[3.1.0]hex-1-yl)-, ethyl ester
CAS No: 919288-18-9 Catalog No: AG0067GB MDL No:
Product Description
Catalog Number:
AG0067GB
Chemical Name:
Benzoic acid, 4-(3-azabicyclo[3.1.0]hex-1-yl)-, ethyl ester
CAS Number:
919288-18-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
ethyl 4-(3-azabicyclo[3.1.0]hexan-1-yl)benzoate
InChI:
InChI=1S/C14H17NO2/c1-2-17-13(16)10-3-5-11(6-4-10)14-7-12(14)8-15-9-14/h3-6,12,15H,2,7-9H2,1H3
InChI Key:
DMIGPVCYWKGEJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C12CNCC2C1
Properties
Complexity:
309
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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