AG00578M

821785-76-6 | 6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid

AG00578M

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CAS Number	821785-76-6
Catalog Number	AG00578M(AGN-PC-03I80N)
Chemical Name	6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
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
MDL Number	MFCD10566759
Molecular Formula	C12H17N3O4
Molecular Weight	267.2811
SMILES	C(=O)(OC(C)(C)C)N1CC2=C(CC1)C(=NN2)C(=O)O
Synonyms	821785-76-6, 6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid, 6-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, AK-27307, 6-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, SCHEMBL5070051, SCHEMBL17223055, CTK8B5715, KS-00000FFR, DTXSID10620672, IHDFHXCBQLIARA-UHFFFAOYSA-N, ZX-RL004076, ANW-49774, MFCD10566759, ZINC40448697, AKOS015919830, CS-W006583, GS-0650, QC-8143, SB15933, VP13594, BR-27307, OR301387, AB0026856, AJ-102930, AX8109268, TC-138519, 4CH-006878, FT-0645473, ST24029625, W8608, S-7483, 6-Boc-1,4,5,7-tetrahydropyrazolo-[3,4-c]pyridine-3-carboxylic acid, 6-N-Boc-1,4,5,7-tetrahydro-pyrazolo[3,4-c]pyridine-3-carboxylic acid, 6-(tert-butoxycarbonyl)-1H,4H,5H,7H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, 6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-1Hpyrazolo[3,4-c]pyridine-3-carboxylic acid, 6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester, 6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylicacid,1,4,5,7-tetrahydro-,6-(1,1-dimethylethyl)ester, C12H17N3O4, 6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylicacid,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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