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1393845-78-7 | 4H-Pyrazolo[4,3-b]pyridine-4-carboxylic acid, 2,5,6,7-tetrahydro-, 1,1-dimethylethyl ester
CAS No: 1393845-78-7 Catalog No: AG001AW3 MDL No:MFCD22383945
Product Description
Catalog Number:
AG001AW3
Chemical Name:
4H-Pyrazolo[4,3-b]pyridine-4-carboxylic acid, 2,5,6,7-tetrahydro-, 1,1-dimethylethyl ester
CAS Number:
1393845-78-7
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD22383945
IUPAC Name:
tert-butyl 1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-4-5-8-9(14)7-12-13-8/h7H,4-6H2,1-3H3,(H,12,13)
InChI Key:
VUEOIIWQDOZFFL-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1c[nH]n2)OC(C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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