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1461706-04-6 | 7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, ethyl ester, hydrochloride (1:1)
CAS No: 1461706-04-6 Catalog No: AG001DR2 MDL No:MFCD19442341
Product Description
Catalog Number:
AG001DR2
Chemical Name:
7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, ethyl ester, hydrochloride (1:1)
CAS Number:
1461706-04-6
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
MDL Number:
MFCD19442341
IUPAC Name:
ethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
InChI:
InChI=1S/C9H15NO2.ClH/c1-2-12-9(11)7-5-6-3-4-8(7)10-6;/h6-8,10H,2-5H2,1H3;1H
InChI Key:
RHTOIFWJKDDWQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC2NC1CC2.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:
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:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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