Text Search
Structure Search

5-(hydroxymethyl)furan-3-carbonitrile

5-(hydroxymethyl)furan-3-carbonitrile

CAS: 59413-72-8

Formula: C6H5NO2

SMILES: OCC1=CC(=CO1)C#N

IUPAC: 5-(hydroxymethyl)furan-3-carbonitrile

InChI: InChI=1S/C6H5NO2/c7-2-5-1-6(3-8)9-4-5/h1,4,8H,3H2

Composition: C (58.54%), H (4.09%), N (11.38%), O (25.99%)

Molar Mass: 123.111

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 123.032028405
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PPPPJFDWESULFP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 30.99
Topological Polar Surface Area 57.16
Polarizability 11.54
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
J&W PHARMLAB LLC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 59413-72-8 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
Request Quote