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4-(3-hydroxyprop-1-yn-1-yl)benzonitrile

4-(3-hydroxyprop-1-yn-1-yl)benzonitrile

CAS: 80151-16-2

Formula: C10H7NO

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

IUPAC: 4-(3-hydroxyprop-1-yn-1-yl)benzonitrile

InChI: InChI=1S/C10H7NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,7H2

Composition: C (76.42%), H (4.49%), N (8.91%), O (10.18%)

Molar Mass: 157.172

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 157.052763849
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WUBRVKKUJQPDQN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.23
Topological Polar Surface Area 44.02
Polarizability 17.19
Ring Count 1
Rotatable Bond Count 2

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90% <2 Days 80151-16-2 $51.35-$86.31$51.35$63.37$86.31
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