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3-{[(hydroxyamino)imino]methyl}benzoic acid

3-{[(hydroxyamino)imino]methyl}benzoic acid

CAS: 199447-10-4

Formula: C8H8N2O3

SMILES: ONN=CC1=CC=CC(=C1)C(O)=O

IUPAC: 3-{[(hydroxyamino)imino]methyl}benzoic acid

InChI: InChI=1S/C8H8N2O3/c11-8(12)7-3-1-2-6(4-7)5-9-10-13/h1-5,10,13H,(H,11,12)

Composition: C (53.33%), H (4.48%), N (15.55%), O (26.64%)

Molar Mass: 180.163

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.053492126
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey RVQDHCSAKSLMPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.63
Topological Polar Surface Area 81.92
Polarizability 17.31
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 199447-10-4 $47.61-$197.69$47.61$61.07$73.49$197.69
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95% <6 Days 199447-10-4 $17.25-$58.65$17.25$29.90$41.40$58.65
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