AG003C0O

1072944-97-8 | (E)-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylic acid

AG003C0O

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CAS Number	1072944-97-8
Catalog Number	AG003C0O(AGN-PC-0WA9IV)
Chemical Name	(E)-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylic acid
IUPAC Name	(E)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoic acid
InChI	InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-8-5-11(6-9-12)7-10-13(17)18/h5-10H,1-4H3,(H,17,18)/b10-7+
InChI Key	LNNZFLJPNKVNCC-JXMROGBWSA-N
MDL Number	MFCD11053843
Molecular Formula	C15H19BO4
Molecular Weight	274.1200
SMILES	CC1(C)OB(OC1(C)C)c1ccc(cc1)/C=C/C(=O)O
Synonyms	1072944-97-8, (E)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACRYLIC ACID, 4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester, (E)-4-(2-Carboxyvinyl)phenylboronic Acid Pinacol Ester, SCHEMBL1931697, MFCD11053843, AKOS015999660, ZINC169904060, FCH2836081, FCH4162214, RTR-001496, CS-11933, OR360892, AX8231255, TR-001496, A-4491, (E)-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylicacid,

Complexity	379
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	274.138g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.123g/mol
Monoisotopic Mass	274.138g/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

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