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4-amino-2-methoxy-5-nitrobenzoic acid

4-amino-2-methoxy-5-nitrobenzoic acid

CAS: 59338-90-8

Formula: C8H8N2O5

SMILES: COC1=C(C=C(C(N)=C1)[N+]([O-])=O)C(O)=O

IUPAC: 4-amino-2-methoxy-5-nitrobenzoic acid

InChI: InChI=1S/C8H8N2O5/c1-15-7-3-5(9)6(10(13)14)2-4(7)8(11)12/h2-3H,9H2,1H3,(H,11,12)

Composition: C (45.29%), H (3.80%), N (13.20%), O (37.70%)

Molar Mass: 212.161

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.043321366
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey AOANPIGDKLHHIC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.8
Topological Polar Surface Area 115.69
Polarizability 18.4
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 59338-90-8 $304.75-$1,610.00$304.75$592.25$1,006.25$1,610.00
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