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232280-80-7 | 3-Furancarbonitrile, 5-(aminomethyl)-, hydrochloride (1:1)
CAS No: 232280-80-7 Catalog No: AG002ML7 MDL No:MFCD06658316
Product Description
Catalog Number:
AG002ML7
Chemical Name:
3-Furancarbonitrile, 5-(aminomethyl)-, hydrochloride (1:1)
CAS Number:
232280-80-7
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD06658316
IUPAC Name:
5-(aminomethyl)furan-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C6H6N2O.ClH/c7-2-5-1-6(3-8)9-4-5;/h1,4H,3,8H2;1H
InChI Key:
YSOBWORYTNVBAV-UHFFFAOYSA-N
SMILES:
NCc1occ(c1)C#N.Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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