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2-[(2E)-2-(2H-1,3-benzodioxol-5-ylmethylidene)hydrazin-1-yl]benzoic acid

2-[(2E)-2-(2H-1,3-benzodioxol-5-ylmethylidene)hydrazin-1-yl]benzoic acid

Formula: C15H12N2O4

SMILES: OC(=O)C1=CC=CC=C1NN=CC1=CC=C2OCOC2=C1

IUPAC: 2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]benzoic acid

InChI: InChI=1S/C15H12N2O4/c18-15(19)11-3-1-2-4-12(11)17-16-8-10-5-6-13-14(7-10)21-9-20-13/h1-8,17H,9H2,(H,18,19)/b16-8+

Composition: C (63.38%), H (4.26%), N (9.85%), O (22.51%)

Molar Mass: 284.271

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 284.079706874
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey MTTZIGDEMCVVQA-LZYBPNLTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.4
Topological Polar Surface Area 80.15
Polarizability 28.44
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H12N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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