AG001676

1218789-73-1 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(3-methyl-5-propoxyphenyl)-

AG001676

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CAS Number	1218789-73-1
Catalog Number	AG001676(AGN-PC-0WA8UU)
Chemical Name	1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(3-methyl-5-propoxyphenyl)-
IUPAC Name	4,4,5,5-tetramethyl-2-(3-methyl-5-propoxyphenyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C16H25BO3/c1-7-8-18-14-10-12(2)9-13(11-14)17-19-15(3,4)16(5,6)20-17/h9-11H,7-8H2,1-6H3
InChI Key	GNMZRYSYAHSLRP-UHFFFAOYSA-N
MDL Number	MFCD12546601
Molecular Formula	C16H25BO3
Molecular Weight	276.1789
SMILES	CCCOC1=CC(=CC(C)=C1)B1OC(C)(C)C(C)(C)O1
Synonyms	1218789-73-1, 4,4,5,5-Tetramethyl-2-(3-methyl-5-propoxyphenyl)-1,3,2-dioxaborolane, 3-Methyl-5-propoxyphenylboronic acid, pinacol ester, 3-Methyl-5-propoxyphenylboronic acid pinacol ester, CTK8C1210, DTXSID90675286, ANW-66067, MFCD12546601, AKOS016004643, ZINC169905079, OR361466, AX8236096, TR-034771, X1709, A-5611, 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(3-methyl-5-propoxyphenyl)-, C16H25BO3, GNMZRYSYAHSLRP-UHFFFAOYSA-N,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.19g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.183g/mol
Monoisotopic Mass	276.19g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	27.7A^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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