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4-butylbenzaldehyde

4-butylbenzaldehyde

CAS: 1200-14-2

Formula: C11H14O

SMILES: CCCCC1=CC=C(C=O)C=C1

IUPAC: 4-butylbenzaldehyde

InChI: InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3

Composition: C (81.44%), H (8.70%), O (9.86%)

Molar Mass: 162.232

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.104465071
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ARIREUPIXAKDAY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.49
Topological Polar Surface Area 17.07
Polarizability 19.53
Ring Count 1
Rotatable Bond Count 4

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98% <7 Days 1200-14-2 $38.30-$530.96$38.30$129.38$530.96
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95% <6 Days 1200-14-2 $143.75-$587.65$143.75$196.65$587.65
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95% <5 Days 1200-14-2 $157.63-$663.29$157.63$215.63$663.29
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