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3-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzaldehyde

3-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzaldehyde

CAS: 915922-32-6

Formula: C13H12O2

SMILES: C=CCC1=C(OCC#C)C=CC(C=O)=C1

IUPAC: 3-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzaldehyde

InChI: InChI=1S/C13H12O2/c1-3-5-12-9-11(10-14)6-7-13(12)15-8-4-2/h2-3,6-7,9-10H,1,5,8H2

Composition: C (77.98%), H (6.04%), O (15.98%)

Molar Mass: 200.237

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.083729626
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JYGAJLCRMLQGKX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.97
Topological Polar Surface Area 26.3
Polarizability 22.61
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 915922-32-6 $58.65-$232.30$58.65$232.30
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