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4-methoxy-2-nitrobenzoic acid

4-methoxy-2-nitrobenzoic acid

CAS: 33844-21-2

Formula: C8H7NO5

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

IUPAC: 4-methoxy-2-nitrobenzoic acid

InChI: InChI=1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

Composition: C (48.74%), H (3.58%), N (7.10%), O (40.58%)

Molar Mass: 197.146

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.032422329
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey DVZBWONCSHFMMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.1
Topological Polar Surface Area 89.67
Polarizability 17.22
Ring Count 1
Rotatable Bond Count 3

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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 33844-21-2 $94.50-$283.50$94.50$283.50
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J&W PHARMLAB LLC
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97% <2 Days 33844-21-2 $34.50-$138.00$34.50$138.00
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