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124459-77-4 | 1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 124459-77-4 Catalog No: AG000M15 MDL No:MFCD11976676
Product Description
Catalog Number:
AG000M15
Chemical Name:
1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
124459-77-4
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD11976676
IUPAC Name:
tert-butyl 1H-indazole-3-carboxylate
InChI:
InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)10-8-6-4-5-7-9(8)13-14-10/h4-7H,1-3H3,(H,13,14)
InChI Key:
PZCUZCXHRSTAGA-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]c2c1cccc2)OC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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