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178419-56-2

178419-56-2 | 1-Azabicyclo[2.2.2]octane-3-acetic acid, 3-hydroxy-, methyl ester

CAS No: 178419-56-2 Catalog No: AG00260L MDL No:

Product Description

Catalog Number:
AG00260L
Chemical Name:
1-Azabicyclo[2.2.2]octane-3-acetic acid, 3-hydroxy-, methyl ester
CAS Number:
178419-56-2
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
methyl 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)acetate
InChI:
InChI=1S/C10H17NO3/c1-14-9(12)6-10(13)7-11-4-2-8(10)3-5-11/h8,13H,2-7H2,1H3
InChI Key:
YKBWECLSUPRXOG-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(O)CN2CCC1CC2

Properties

Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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