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Home > Other Heterocycles > 919288-16-7
919288-16-7 | Benzoic acid, 4-(3-azabicyclo[3.1.0]hex-1-yl)-, methyl ester
CAS No: 919288-16-7 Catalog No: AG0067GC MDL No:
Product Description
Catalog Number:
AG0067GC
Chemical Name:
Benzoic acid, 4-(3-azabicyclo[3.1.0]hex-1-yl)-, methyl ester
CAS Number:
919288-16-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
methyl 4-(3-azabicyclo[3.1.0]hexan-1-yl)benzoate
InChI:
InChI=1S/C13H15NO2/c1-16-12(15)9-2-4-10(5-3-9)13-6-11(13)7-14-8-13/h2-5,11,14H,6-8H2,1H3
InChI Key:
RDHGDCINUSAIAG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C12CNCC2C1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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