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3-methoxy-4-(2-oxopyrrolidin-1-yl)benzonitrile

3-methoxy-4-(2-oxopyrrolidin-1-yl)benzonitrile

Formula: C12H12N2O2

SMILES: COC1=C(C=CC(=C1)C#N)N1CCCC1=O

IUPAC: 3-methoxy-4-(2-oxopyrrolidin-1-yl)benzonitrile

InChI: InChI=1S/C12H12N2O2/c1-16-11-7-9(8-13)4-5-10(11)14-6-2-3-12(14)15/h4-5,7H,2-3,6H2,1H3

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.089877634
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FDGQVINZMFNZHR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.12
Topological Polar Surface Area 53.33
Polarizability 22.52
Ring Count 2
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C12H12N2O2 $840.00-$2,531.00$840.00$2,531.00
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Struchem co.,ltd
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C12H12N2O2 $840.00-$2,531.00$840.00$2,531.00
Request Quote