AG000I7S

1191063-90-7 | 1,3,2-Dioxaborolane-2-propanoic acid, 4,4,5,5-tetramethyl-

AG000I7S

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CAS Number	1191063-90-7
Catalog Number	AG000I7S(AGN-PC-07ZZTA)
Chemical Name	1,3,2-Dioxaborolane-2-propanoic acid, 4,4,5,5-tetramethyl-
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid
InChI	InChI=1S/C9H17BO4/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChI Key	KOEHRDXIOARYAC-UHFFFAOYSA-N
MDL Number	MFCD12962654
Molecular Formula	C9H17BO4
Molecular Weight	200.0399
SMILES	O=C(O)CCB1OC(C)(C)C(C)(C)O1
Synonyms	1191063-90-7, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid, 2-Carboxyethylboronic acid, pinacol ester, 1,3,2-Dioxaborolane-2-propanoic acid, 4,4,5,5-tetramethyl-, SCHEMBL12420259, CTK8B6302, DTXSID60676982, ANW-53253, MFCD18914529, AKOS015999689, ZINC169746575, FCH1348025, OR360872, AX8231243, TC-141998, ST24022548, A-2949, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)propanoic acid,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.122g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.041g/mol
Monoisotopic Mass	200.122g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^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

Lot Number