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2-hydroxy-4-methylbenzonitrile

2-hydroxy-4-methylbenzonitrile

CAS: 18495-14-2

Formula: C8H7NO

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

IUPAC: 2-hydroxy-4-methylbenzonitrile

InChI: InChI=1S/C8H7NO/c1-6-2-3-7(5-9)8(10)4-6/h2-4,10H,1H3

Composition: C (72.17%), H (5.30%), N (10.52%), O (12.02%)

Molar Mass: 133.15

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 133.052763849
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WAFLXCCXXVMUKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.8
Topological Polar Surface Area 44.02
Polarizability 14.53
Ring Count 1
Rotatable Bond Count 0

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 18495-14-2 $600.00-$1,100.00$600.00$780.00$1,100.00
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Kinentia Biosciences LLC
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Purity LeadTime CAS PacketSize UnitPrice
96% <14 Days 18495-14-2 $153.09$153.09
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