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N-(4-methylphenyl)guanidine; oxalic acid

N-(4-methylphenyl)guanidine; oxalic acid

CAS: 1187927-45-2

Formula: C10H13N3O4

SMILES: OC(=O)C(O)=O.CC1=CC=C(NC(N)=N)C=C1

IUPAC: N-(4-methylphenyl)guanidine; oxalic acid

InChI: InChI=1S/C8H11N3.C2H2O4/c1-6-2-4-7(5-3-6)11-8(9)10;3-1(4)2(5)6/h2-5H,1H3,(H4,9,10,11);(H,3,4)(H,5,6)

Composition: C (50.21%), H (5.48%), N (17.57%), O (26.75%)

Molar Mass: 239.231

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 239.090605911
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey OQTFVIPZBMEVNZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.23
Topological Polar Surface Area 61.9
Polarizability 16.93
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1187927-45-2 $86.25-$1,370.80$86.25$97.75$109.25$339.25$1,370.80
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