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ethyl 5,6-dimethoxy-1H-indazole-3-carboxylate

ethyl 5,6-dimethoxy-1H-indazole-3-carboxylate

CAS: 29281-06-9

Formula: C12H14N2O4

SMILES: CCOC(=O)C1=NNC2=CC(OC)=C(OC)C=C12

IUPAC: ethyl 5,6-dimethoxy-1H-indazole-3-carboxylate

InChI: InChI=1S/C12H14N2O4/c1-4-18-12(15)11-7-5-9(16-2)10(17-3)6-8(7)13-14-11/h5-6H,4H2,1-3H3,(H,13,14)

Composition: C (57.59%), H (5.64%), N (11.19%), O (25.57%)

Molar Mass: 250.254

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 250.095356939
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FIHSLNDIKXNHHG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.4
Topological Polar Surface Area 73.44
Polarizability 25.97
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 29281-06-9 $1,147.70-$4,597.70$1,147.70$4,597.70
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