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1172802-41-3 | 2-Azabicyclo[3.1.1]heptane-1-carboxylic acid, hydrochloride (1:1)
CAS No: 1172802-41-3 Catalog No: AG000E0K MDL No:MFCD11858158
Product Description
Catalog Number:
AG000E0K
Chemical Name:
2-Azabicyclo[3.1.1]heptane-1-carboxylic acid, hydrochloride (1:1)
CAS Number:
1172802-41-3
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD11858158
IUPAC Name:
2-azabicyclo[3.1.1]heptane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c9-6(10)7-3-5(4-7)1-2-8-7;/h5,8H,1-4H2,(H,9,10);1H
InChI Key:
FYBPALMIVHGTAV-UHFFFAOYSA-N
SMILES:
OC(=O)C12NCCC(C1)C2.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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