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3-(N'-hydroxycarbamimidoyl)benzoic acid

3-(N'-hydroxycarbamimidoyl)benzoic acid

CAS: 199447-10-4

Formula: C8H8N2O3

SMILES: NC(=NO)C1=CC(=CC=C1)C(O)=O

IUPAC: 3-(N'-hydroxycarbamimidoyl)benzoic acid

InChI: InChI=1S/C8H8N2O3/c9-7(10-13)5-2-1-3-6(4-5)8(11)12/h1-4,13H,(H2,9,10)(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 LJCLPFBIVUPTAR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.34
Topological Polar Surface Area 95.91
Polarizability 17.1
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 199447-10-4 $68.94-$110.46$68.94$110.46
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