AG002CIY

2001080-85-7 | Boronic acid, B-(4-formyl-3,5-dimethoxyphenyl)-

AG002CIY

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CAS Number	2001080-85-7
Catalog Number	AG002CIY(AGN-PC-0WANF3)
Chemical Name	Boronic acid, B-(4-formyl-3,5-dimethoxyphenyl)-
IUPAC Name	(4-formyl-3,5-dimethoxyphenyl)boronic acid
InChI	InChI=1S/C9H11BO5/c1-14-8-3-6(10(12)13)4-9(15-2)7(8)5-11/h3-5,12-13H,1-2H3
InChI Key	AMCMBLFQAZPIPI-UHFFFAOYSA-N
MDL Number	MFCD22383667
Molecular Formula	C9H11BO5
Molecular Weight	209.9916
SMILES	COC1=C(C=O)C(OC)=CC(B(O)O)=C1
Synonyms	(4-Formyl-3,5-dimethoxyphenyl)boronic acid, 2001080-85-7, 4-Formyl-3,5-dimethoxyphenylboronic acid, 3,5-dimethoxy-4-formyl phenyl boronic acid, KS-00000SJE, KM3707, MFCD22383667, AKOS024462451, ZINC169747594, ACN-046519, DS-9712, AK160362, AM808082, ST24034704, Y2756, Boronic acid, B-(4-formyl-3,5-dimethoxyphenyl)-, C9H11BO5,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.07g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.992g/mol
Monoisotopic Mass	210.07g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76A^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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