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1245648-89-8 | 1H-Indazole-1-carboxylic acid, 5-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1245648-89-8 Catalog No: AG000MC9 MDL No:
Product Description
Catalog Number:
AG000MC9
Chemical Name:
1H-Indazole-1-carboxylic acid, 5-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1245648-89-8
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
tert-butyl 5-(hydroxymethyl)indazole-1-carboxylate
InChI:
InChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)15-11-5-4-9(8-16)6-10(11)7-14-15/h4-7,16H,8H2,1-3H3
InChI Key:
BWIUNQAJGYXSRV-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)cnn2C(=O)OC(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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