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isoquinoline-4-carbaldehyde

isoquinoline-4-carbaldehyde

CAS: 22960-16-3

Formula: C10H7NO

SMILES: O=CC1=CN=CC2=CC=CC=C12

IUPAC: isoquinoline-4-carbaldehyde

InChI: InChI=1S/C10H7NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-7H

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 2
Asymmetric Atom Count 0
Exact Mass 157.052763849
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RNQQJLYJLDQGGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.94
Topological Polar Surface Area 29.96
Polarizability 18.88
Ring Count 2
Rotatable Bond Count 1

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Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 22960-16-3 $7.25-$675.86$7.25$10.35$34.16$144.90$287.73$675.86
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 22960-16-3 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 22960-16-3 $6.90-$181.70$6.90$13.80$42.55$181.70
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