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4-hydroxy-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]benzamide

4-hydroxy-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]benzamide

CAS: 251908-92-6

Formula: C27H39NO2

SMILES: CCCCCC=C/CC=C/CC=C/CC=C/CCCCNC(=O)C1=CC=C(O)C=C1

IUPAC: 4-hydroxy-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]benzamide

InChI: InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6-,10-9-,13-12-,16-15-

Composition: C (79.17%), H (9.60%), N (3.42%), O (7.81%)

Molar Mass: 409.614

Atom Count: 69

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 409.2980795
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XCWBOAHOJHPWLA-DOFZRALJSA-N
Lipinski's Rule of Five
Molar Refractivity 133.97
Topological Polar Surface Area 49.33
Polarizability 49.68
Ring Count 1
Rotatable Bond Count 16

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 251908-92-6 $97.75-$1,339.75$97.75$182.85$765.90$1,339.75
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