AG004OTD

871329-53-2 | (5-(Methoxycarbonyl)pyridin-3-yl)boronic acid

AG004OTD

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CAS Number	871329-53-2
Catalog Number	AG004OTD(AGN-PC-0VB2LC)
Chemical Name	(5-(Methoxycarbonyl)pyridin-3-yl)boronic acid
IUPAC Name	(5-methoxycarbonylpyridin-3-yl)boronic acid
InChI	InChI=1S/C7H8BNO4/c1-13-7(10)5-2-6(8(11)12)4-9-3-5/h2-4,11-12H,1H3
InChI Key	PGTWAVVFCNTGCS-UHFFFAOYSA-N
MDL Number	MFCD07363742
Molecular Formula	C7H8BNO4
Molecular Weight	180.9537
SMILES	O=C(C1=CN=CC(B(O)O)=C1)OC
Synonyms	871329-53-2, (5-(Methoxycarbonyl)pyridin-3-yl)boronic acid, 5-(methoxycarbonyl)pyridin-3-ylboronic acid, 5-(METHOXYCARBONYL)PYRIDINE-3-BORONIC ACID, METHYL 5-BORONONICOTINATE, [5-(methoxycarbonyl)pyridin-3-yl]boronic acid, 3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester, AK133011, (5-METHOXYCARBONYL-3-PYRIDYL)BORONIC ACID, ACMC-209qfy, 5-(methoxycarbonyl)pyridin-3-ylboronicacid, SCHEMBL961277, CTK5F7904, DTXSID90624592, PGTWAVVFCNTGCS-UHFFFAOYSA-N, ABBYPHARMA AP-17-5470, ACT11270, KS-00000LQ7, ZX-AT000446, ANW-38540, CM-072, FCH921221, MFCD07363742, OR5718, SBB069017, AKOS006344212, ZINC169745502, AB30667, CS-W023044, PS-9470, RP00041, RTR-027204, VZ32665, (5-carbomethoxy-3-pyridyl)boronic acid, BC001634, CC-30677, SC-28471, (5-methoxycarbonyl-3-pyridinyl)boronic acid, (5-methoxycarbonylpyridin-3-yl)boronic acid, 3-(methoxycarbonyl)pyridine-5-boronic acid, AX8004918, DB-012224, ST2414365, TR-027204, FT-0644976, X2599, B-4982, C-06778, J-516362, S02-0209, C7H8BNO4, 2-bromo-4-methyl-1-nitrobenzene, [5- PYRIDIN-3-YL]BORONICACID, ACN-042803, (5-(Methoxycarbonyl)pyridin-3-yl)boronicacid, A10374,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number