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3-[2-(tert-butoxy)-2-oxoethyl]-2H-indazole-6-carboxylic acid

3-[2-(tert-butoxy)-2-oxoethyl]-2H-indazole-6-carboxylic acid

CAS: 2355385-18-9

Formula: C14H16N2O4

SMILES: CC(C)(C)OC(=O)CC1=C2C=CC(=CC2=NN1)C(O)=O

IUPAC: 3-[2-(tert-butoxy)-2-oxoethyl]-2H-indazole-6-carboxylic acid

InChI: InChI=1S/C14H16N2O4/c1-14(2,3)20-12(17)7-11-9-5-4-8(13(18)19)6-10(9)15-16-11/h4-6H,7H2,1-3H3,(H,15,16)(H,18,19)

Composition: C (60.86%), H (5.84%), N (10.14%), O (23.16%)

Molar Mass: 276.292

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.111007003
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey TWHJNLGIPOQLPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.84
Topological Polar Surface Area 92.28
Polarizability 28.8
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2355385-18-9 $243.80-$7,912.00$243.80$373.75$631.35$1,147.70$2,162.00$7,912.00
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