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1172097-47-0

1172097-47-0 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, hydrochloride (1:1)

CAS No: 1172097-47-0 Catalog No: AG000DX3 MDL No:MFCD09971722

Product Description

Catalog Number:
AG000DX3
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-, hydrochloride (1:1)
CAS Number:
1172097-47-0
Molecular Formula:
C6H10ClNO2
Molecular Weight:
163.6021
MDL Number:
MFCD09971722
IUPAC Name:
3-aminobicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H9NO2.ClH/c7-6-1-5(2-6,3-6)4(8)9;/h1-3,7H2,(H,8,9);1H
InChI Key:
GJEQUVVCBPCCCS-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC(C1)(C2)N.Cl

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
163.601g/mol
Monoisotopic Mass:
163.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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