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1290181-22-4 | 1H-Indazole-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl) 5-methyl ester
CAS No: 1290181-22-4 Catalog No: AG000YSH MDL No:MFCD19443352
Product Description
Catalog Number:
AG000YSH
Chemical Name:
1H-Indazole-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl) 5-methyl ester
CAS Number:
1290181-22-4
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD19443352
IUPAC Name:
1-O-tert-butyl 5-O-methyl indazole-1,5-dicarboxylate
InChI:
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(18)16-11-6-5-9(12(17)19-4)7-10(11)8-15-16/h5-8H,1-4H3
InChI Key:
ZMPBMQQOXXOMRH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cnn2C(=O)OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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