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2-butoxybenzaldehyde

2-butoxybenzaldehyde

CAS: 7091-13-6

Formula: C11H14O2

SMILES: CCCCOC1=C(C=O)C=CC=C1

IUPAC: 2-butoxybenzaldehyde

InChI: InChI=1S/C11H14O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9H,2-3,8H2,1H3

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.099379691
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FSMCOBJDZVRWIZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.98
Topological Polar Surface Area 26.3
Polarizability 20.27
Ring Count 1
Rotatable Bond Count 5

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Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 7091-13-6 $39.00$39.00
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MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 7091-13-6 $101.60$101.60
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