AG00C0C6

332398-57-9 | 4-Carboxynaphthalene-1-boronic acid

AG00C0C6

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CAS Number	332398-57-9
Catalog Number	AG00C0C6(AGN-PC-03TPBU)
Chemical Name	4-Carboxynaphthalene-1-boronic acid
IUPAC Name	4-borononaphthalene-1-carboxylic acid
InChI	InChI=1S/C11H9BO4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6,15-16H,(H,13,14)
InChI Key	SRYYKYNBMCQCAB-UHFFFAOYSA-N
MDL Number	MFCD06203538
Molecular Formula	C11H9BO4
Molecular Weight	215.9978
SMILES	O=C(O)C1=C2C=CC=CC2=C(B(O)O)C=C1
Synonyms	4-Carboxynaphthalene-1-boronic acid, 332398-57-9, 4-Borono-1-naphthoic acid, MFCD06203538, 4-Borononaphthalene-1-carboxylic acid, 4-(dihydroxyboranyl)naphthalene-1-carboxylic acid, ACMC-209hzn, SCHEMBL4341530, CTK1C1869, 4-Carboxy-1-naphthylboronic acid, DTXSID90627689, SRYYKYNBMCQCAB-UHFFFAOYSA-N, ZX-AT019334, ANW-27585, AKOS015836345, ZINC169744679, AB23191, OR11417, RTR-013931, ACM332398579, TR-013931, X0721, B-8126, I04-1887, C11H9BO4,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.059g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	215.999g/mol
Monoisotopic Mass	216.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number