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3-methoxyprop-2-enenitrile

3-methoxyprop-2-enenitrile

CAS: 60838-50-8

Formula: C4H5NO

SMILES: COC=CC#N

IUPAC: 3-methoxyprop-2-enenitrile

InChI: InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 83.09

Atom Count: 11

Heavy Atom Count: 6

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 83.037113785
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IPCRTSDORDQHRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 23
Topological Polar Surface Area 33.02
Polarizability 8.4
Ring Count 0
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 60838-50-8 $141.45-$2,336.80$141.45$187.45$250.70$435.85$579.60$1,090.20$1,591.60$2,336.80
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