AG003HUR

4406-77-3 | 2-Phenyl-1,3,2-dioxaborinane

AG003HUR

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CAS Number	4406-77-3
Catalog Number	AG003HUR(AGN-PC-0JU897)
Chemical Name	2-Phenyl-1,3,2-dioxaborinane
IUPAC Name	2-phenyl-1,3,2-dioxaborinane
InChI	InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChI Key	QLWMDSAMEIJLQB-UHFFFAOYSA-N
MDL Number	MFCD00075228
Molecular Formula	C9H11BO2
Molecular Weight	161.9934
SMILES	B1(C2=CC=CC=C2)OCCCO1
Synonyms	2-phenyl-1,3,2-dioxaborinane, 4406-77-3, 1,3,2-dioxaborinane, 2-phenyl-, AC1LD5K7, ACMC-1AK13, SCHEMBL1136933, 2-Phenyl-2-bora-1,3-dioxane, Phenyl boronic acid glycol ester, DTXSID60349048, QLWMDSAMEIJLQB-UHFFFAOYSA-N, ANW-30056, MFCD00075228, AKOS015840410, ZINC169748225, AB02862, ACM4406773, FCH1115557, Phenylboronic acid 1,3-propanediol ester, OR360026, TR-017029, ST24040995, X0801, Phenylboronic acid 1,3-propanediol ester, 99%, Q-7096, InChI=1/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H, C9H11BO2, CID642685, Benzeneboronic acid, cyclic trimethylene ester,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.995g/mol
Monoisotopic Mass	162.085g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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