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173850-71-0

173850-71-0 | 4-Isoxazolemethanamine, hydrochloride (1:1)

CAS No: 173850-71-0 Catalog No: AG001Z97 MDL No:MFCD06738928

Product Description

Catalog Number:
AG001Z97
Chemical Name:
4-Isoxazolemethanamine, hydrochloride (1:1)
CAS Number:
173850-71-0
Molecular Formula:
C4H7ClN2O
Molecular Weight:
134.5642
MDL Number:
MFCD06738928
IUPAC Name:
1,2-oxazol-4-ylmethanamine;hydrochloride
InChI:
InChI=1S/C4H6N2O.ClH/c5-1-4-2-6-7-3-4;/h2-3H,1,5H2;1H
InChI Key:
ASVALZCMCJOEQG-UHFFFAOYSA-N
SMILES:
NCc1conc1.Cl

Properties

Complexity:
57.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
134.563g/mol
Monoisotopic Mass:
134.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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