AG007YI6

1028479-47-1 | 4-FORMYL-2-METHOXYPHENYLBORONIC ACID

AG007YI6

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CAS Number	1028479-47-1
Catalog Number	AG007YI6(AGN-PC-0BULBD)
Chemical Name	4-FORMYL-2-METHOXYPHENYLBORONIC ACID
IUPAC Name	(4-formyl-2-methoxyphenyl)boronic acid
InChI	InChI=1S/C8H9BO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5,11-12H,1H3
InChI Key	PQECZCKVUFXDGP-UHFFFAOYSA-N
MDL Number	MFCD11856026
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	COC1=CC(C=O)=CC=C1B(O)O
Synonyms	(4-Formyl-2-methoxyphenyl)boronic acid, 1028479-47-1, 4-Formyl-2-methoxyphenylboronic acid, AK-61391, CTK8A9043, DTXSID50726920, ACMC-209837, ANW-14753, MFCD11856026, AKOS016014916, ZINC169747556, AM80883, FCH1150752, (4-Formyl-2-methoxy-phenyl)boronic acid, 3-Methoxy-4-(dihydroxyboryl)benzaldehyde, BC001744, DS-14766, OR350182, AB0036356, AX8218084, ST2401554, TC-103498, 4CH-019397, CS-0042887, Y3552, Boronic acid, B-(4-formyl-2-methoxyphenyl)-, B-6289, C8H9BO4, (4-Formyl-2-methoxyphenyl)boronicacid, ACN-046528,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.966g/mol
Monoisotopic Mass	180.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number