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89149-70-2 | 2-Furancarbonitrile,5-(hydroxymethyl)-
CAS No: 89149-70-2 Catalog No: AG003WT6 MDL No:
Product Description
Catalog Number:
AG003WT6
Chemical Name:
2-Furancarbonitrile,5-(hydroxymethyl)-
CAS Number:
89149-70-2
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
IUPAC Name:
5-(hydroxymethyl)furan-2-carbonitrile
InChI:
InChI=1S/C6H5NO2/c7-3-5-1-2-6(4-8)9-5/h1-2,8H,4H2
InChI Key:
XAOLIZQQNMUXQB-UHFFFAOYSA-N
SMILES:
OCc1ccc(o1)C#N
EC Number:
289-476-0
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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