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2-methyl-5-{5-[(1E)-2-nitroethenyl]furan-2-yl}benzoic acid

2-methyl-5-{5-[(1E)-2-nitroethenyl]furan-2-yl}benzoic acid

Formula: C14H11NO5

SMILES: CC1=CC=C(C=C1C(O)=O)C1=CC=C(O1)C=C[N+]([O-])=O

IUPAC: 2-methyl-5-{5-[(1E)-2-nitroethenyl]furan-2-yl}benzoic acid

InChI: InChI=1S/C14H11NO5/c1-9-2-3-10(8-12(9)14(16)17)13-5-4-11(20-13)6-7-15(18)19/h2-8H,1H3,(H,16,17)/b7-6+

Composition: C (61.54%), H (4.06%), N (5.13%), O (29.28%)

Molar Mass: 273.244

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.063722458
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WLUIIEYNYIKBAY-VOTSOKGWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.75
Topological Polar Surface Area 93.58
Polarizability 27.6
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H11NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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