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821785-76-6 | 6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CAS No: 821785-76-6 Catalog No: AG00578M MDL No:MFCD10566759
Product Description
Catalog Number:
AG00578M
Chemical Name:
6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CAS Number:
821785-76-6
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
MDL Number:
MFCD10566759
IUPAC Name:
6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-4-7-8(6-15)13-14-9(7)10(16)17/h4-6H2,1-3H3,(H,13,14)(H,16,17)
InChI Key:
IHDFHXCBQLIARA-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)[nH]nc2C(=O)O)OC(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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