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119103-00-3 | 1-Azabicyclo[3.2.1]octane-5-carboxylicacid
CAS No: 119103-00-3 Catalog No: AG000I71 MDL No:MFCD18806583
Product Description
Catalog Number:
AG000I71
Chemical Name:
1-Azabicyclo[3.2.1]octane-5-carboxylicacid
CAS Number:
119103-00-3
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD18806583
IUPAC Name:
1-azabicyclo[3.2.1]octane-5-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c10-7(11)8-2-1-4-9(6-8)5-3-8/h1-6H2,(H,10,11)
InChI Key:
SJUKNMWUZYVGSH-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCCN(C2)CC1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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