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2-[(2E)-3-(naphthalen-2-yl)but-2-enamido]benzoic acid

2-[(2E)-3-(naphthalen-2-yl)but-2-enamido]benzoic acid

CAS: 321674-73-1

Formula: C21H17NO3

SMILES: CC(=C/C(=O)NC1=CC=CC=C1C(O)=O)C1=CC2=CC=CC=C2C=C1

IUPAC: 2-[(2E)-3-(naphthalen-2-yl)but-2-enamido]benzoic acid

InChI: InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+

Composition: C (76.12%), H (5.17%), N (4.23%), O (14.48%)

Molar Mass: 331.371

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 331.120843411
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PGFQXGLPJUCTOI-WYMLVPIESA-N
Lipinski's Rule of Five
Molar Refractivity 99.33
Topological Polar Surface Area 66.4
Polarizability 38.09
Ring Count 3
Rotatable Bond Count 4

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 321674-73-1 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 321674-73-1 $34.40-$659.68$34.40$61.92$112.37$202.57$366.15$659.68
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