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3-(4-methylphenyl)prop-2-ynenitrile

3-(4-methylphenyl)prop-2-ynenitrile

Formula: C10H7N

SMILES: CC1=CC=C(C=C1)C#CC#N

IUPAC: 3-(4-methylphenyl)prop-2-ynenitrile

InChI: InChI=1S/C10H7N/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,1H3

Composition: C (85.08%), H (5.00%), N (9.92%)

Molar Mass: 141.173

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 141.057849229
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HWKYFBPVNPVQRL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.47
Topological Polar Surface Area 23.79
Polarizability 16.37
Ring Count 1
Rotatable Bond Count 1

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C10H7N Quote Only