AG00978I

1033772-26-7 | Methyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate

AG00978I

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CAS Number	1033772-26-7
Catalog Number	AG00978I(AGN-PC-0WBSLK)
Chemical Name	Methyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate
IUPAC Name	methyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate
InChI	InChI=1S/C8H7N3O2/c1-13-8(12)6-2-5-3-10-11-7(5)4-9-6/h2-4H,1H3,(H,10,11)
InChI Key	DURKKUMGBDLGQK-UHFFFAOYSA-N
MDL Number	MFCD19690201
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
SMILES	O=C(C1=CC2=C(NN=C2)C=N1)OC
Synonyms	METHYL 1H-PYRAZOLO[3,4-C]PYRIDINE-5-CARBOXYLATE, 1033772-26-7, AK172144, 1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid, methyl ester, SCHEMBL4805733, DURKKUMGBDLGQK-UHFFFAOYSA-N, KS-000006SZ, MFCD19690201, ZINC95628555, AKOS025290062, FCH1193345, PB15424, SB20032, AS-34383, AX8330588, ST1201251, CS-0049243, Q-3471, 868552-25-4,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.163g/mol
Monoisotopic Mass	177.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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