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88260-08-6

88260-08-6 | 2-Azabicyclo[2.2.1]heptane-3-carboxylicacid, ethyl ester

CAS No: 88260-08-6 Catalog No: AG004C0M MDL No:MFCD20542576

Product Description

Catalog Number:
AG004C0M
Chemical Name:
2-Azabicyclo[2.2.1]heptane-3-carboxylicacid, ethyl ester
CAS Number:
88260-08-6
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD20542576
IUPAC Name:
ethyl 2-azabicyclo[2.2.1]heptane-3-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-2-12-9(11)8-6-3-4-7(5-6)10-8/h6-8,10H,2-5H2,1H3
InChI Key:
QJGGRDROGASHNR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NC2CC1CC2

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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