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3-(but-3-en-1-yl)benzoic acid

3-(but-3-en-1-yl)benzoic acid

CAS: 286933-10-6

Formula: C11H12O2

SMILES: OC(=O)C1=CC(CCC=C)=CC=C1

IUPAC: 3-(but-3-en-1-yl)benzoic acid

InChI: InChI=1S/C11H12O2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h2,4,6-8H,1,3,5H2,(H,12,13)

Composition: C (74.98%), H (6.86%), O (18.16%)

Molar Mass: 176.215

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 176.083729626
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RIBHGSBRURDWDC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.2
Topological Polar Surface Area 37.3
Polarizability 19.7
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 286933-10-6 $661.25-$2,128.65$661.25$891.25$2,128.65
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