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1015068-75-3 | 1H-Indazole-1,5-dicarboxylic acid, 3-Methyl-, 1-(1,1-diMethylethyl) 5-Methyl ester
CAS No: 1015068-75-3 Catalog No: AG0004NE MDL No:MFCD13182983
Product Description
Catalog Number:
AG0004NE
Chemical Name:
1H-Indazole-1,5-dicarboxylic acid, 3-Methyl-, 1-(1,1-diMethylethyl) 5-Methyl ester
CAS Number:
1015068-75-3
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD13182983
IUPAC Name:
1-O-tert-butyl 5-O-methyl 3-methylindazole-1,5-dicarboxylate
InChI:
InChI=1S/C15H18N2O4/c1-9-11-8-10(13(18)20-5)6-7-12(11)17(16-9)14(19)21-15(2,3)4/h6-8H,1-5H3
InChI Key:
QUDLCEVEXUMDCK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(C)nn2C(=O)OC(C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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