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1363382-45-9 | 9-Azabicyclo[3.3.1]nonane-3-carboxylic acid, methyl ester, (3-exo)-
CAS No: 1363382-45-9 Catalog No: AG0011PQ MDL No:MFCD22421723
Product Description
Catalog Number:
AG0011PQ
Chemical Name:
9-Azabicyclo[3.3.1]nonane-3-carboxylic acid, methyl ester, (3-exo)-
CAS Number:
1363382-45-9
Molecular Formula:
C10H18ClNO2
Molecular Weight:
219.7084
MDL Number:
MFCD22421723
IUPAC Name:
methyl 9-azabicyclo[3.3.1]nonane-3-carboxylate;hydrochloride
InChI:
InChI=1S/C10H17NO2.ClH/c1-13-10(12)7-5-8-3-2-4-9(6-7)11-8;/h7-9,11H,2-6H2,1H3;1H
InChI Key:
JYCTVWROYBTWOH-UHFFFAOYSA-N
SMILES:
COC(=O)C1C[C@@H]2CCC[C@H](C1)N2.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.709g/mol
Monoisotopic Mass:
219.103g/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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