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1403766-94-8 | 3-Azabicyclo[3.2.1]octane-8-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS No: 1403766-94-8 Catalog No: AG001CAU MDL No:MFCD23105857
Product Description
Catalog Number:
AG001CAU
Chemical Name:
3-Azabicyclo[3.2.1]octane-8-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS Number:
1403766-94-8
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
MDL Number:
MFCD23105857
IUPAC Name:
methyl 3-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
InChI:
InChI=1S/C9H15NO2.ClH/c1-12-9(11)8-6-2-3-7(8)5-10-4-6;/h6-8,10H,2-5H2,1H3;1H
InChI Key:
YYIIVSFTCKNFKZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2CNCC1CC2.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.682g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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