AG007ESD

1072945-86-8 | 6-(Methoxycarbonyl)pyridine-3-boronic acid

AG007ESD

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CAS Number	1072945-86-8
Catalog Number	AG007ESD(AGN-PC-0NWM3F)
Chemical Name	6-(Methoxycarbonyl)pyridine-3-boronic acid
IUPAC Name	(6-methoxycarbonylpyridin-3-yl)boronic acid
InChI	InChI=1S/C7H8BNO4/c1-13-7(10)6-3-2-5(4-9-6)8(11)12/h2-4,11-12H,1H3
InChI Key	OJRWQJNSMWIFMD-UHFFFAOYSA-N
MDL Number	MFCD09800559
Molecular Formula	C7H8BNO4
Molecular Weight	180.9537
SMILES	O=C(C1=CC=C(B(O)O)C=N1)OC
Synonyms	1072945-86-8, (6-(Methoxycarbonyl)pyridin-3-yl)boronic acid, 6-(Methoxycarbonyl)pyridine-3-boronic acid, 2-(METHYLCARBOXY)PYRIDINE-5-BORONIC ACID, [6-(methoxycarbonyl)pyridin-3-yl]boronic acid, (6-carbomethoxy-3-pyridyl)boronic acid, (6-methoxycarbonyl-3-pyridyl)boronic acid, (6-methoxycarbonyl-3-pyridinyl)boronic acid, (6-methoxycarbonylpyridin-3-yl)boronic acid, ACMC-2098qr, 6-(METHOXYCARBONYL)PYRIDIN-3-YLBORONIC ACID, SCHEMBL364090, CTK4A5210, DTXSID00670585, OJRWQJNSMWIFMD-UHFFFAOYSA-N, KS-000019EE, ANW-15601, FCH870412, AKOS006329260, ZINC169748056, AB52578, OR42265, RTR-001533, 2-(Methylcarboxy)pyridine-5-boronicacid, 2-methoxycarbonylpyridine-5-boronic acid, 6-Methoxycarbonylpyridine-3-boronic acid, AK-84730, AM802892, AS-39097, SC-15393, AB0029393, AX8241982, DB-080328, TR-001533, 6-(methoxycarbonyl)pyridine-3-ylboronic acid, CS-0082390, FT-0729691, ST24034893, X1535, A-4523, {6-[(methyloxy)carbonyl]-3-pyridinyl}boronic acid, I02-3453, 2-(methylcarboxy)pyridine-5-boronic acid, AldrichCPR, C7H8BNO4, ACN-026072, 957065-99-5,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.055g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.954g/mol
Monoisotopic Mass	181.055g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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