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2174001-44-4 | 2-ethynylazetidine hydrochloride
CAS No: 2174001-44-4 Catalog No: AG01FHKL MDL No:
Product Description
Catalog Number:
AG01FHKL
Chemical Name:
2-ethynylazetidine hydrochloride
CAS Number:
2174001-44-4
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
IUPAC Name:
2-ethynylazetidine;hydrochloride
InChI:
InChI=1S/C5H7N.ClH/c1-2-5-3-4-6-5;/h1,5-6H,3-4H2;1H
InChI Key:
HSUQISAQVNWGLF-UHFFFAOYSA-N
SMILES:
C1CNC1C#C.Cl
Properties
Complexity:
87.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.035g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.576g/mol
Monoisotopic Mass:
117.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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