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isoquinoline-1-carbaldehyde

isoquinoline-1-carbaldehyde

CAS: 4494-18-2

Formula: C10H7NO

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

IUPAC: isoquinoline-1-carbaldehyde

InChI: InChI=1S/C10H7NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/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 HORFVOWTVOJVAN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.55
Topological Polar Surface Area 29.96
Polarizability 18.89
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96.73% <7 Days 4494-18-2 $8.42-$467.50$8.42$19.64$54.23$233.75$467.50
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 4494-18-2 $45.54-$743.13$45.54$63.14$134.55$448.16$743.13
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 4494-18-2 $176.54-$372.00$176.54$372.00
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 4494-18-2 $124.20-$1,955.00$124.20$138.00$161.00$207.00$632.50$1,955.00
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