AG003A1H

1189127-05-6 | B-(3-Ethynylphenyl)boronic acid

AG003A1H

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CAS Number	1189127-05-6
Catalog Number	AG003A1H(AGN-PC-0JF3RY)
Chemical Name	B-(3-Ethynylphenyl)boronic acid
IUPAC Name	(3-ethynylphenyl)boronic acid
InChI	InChI=1S/C8H7BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6,10-11H
InChI Key	RYWSMYJBXIZVRL-UHFFFAOYSA-N
MDL Number	MFCD17677372
Molecular Formula	C8H7BO2
Molecular Weight	145.9510
SMILES	C(#C)C=1C=C(C=CC1)B(O)O
Synonyms	(3-Ethynylphenyl)boronic acid, 1189127-05-6, 3-ETHYNYLPHENYLBORONIC ACID, B-(3-Ethynylphenyl)boronic acid, DTXSID70855625, KS-000004WX, 3190AA, MFCD17677372, AKOS016000317, ZINC169807630, FCH1174720, PB21242, AK112046, AS-55255, B-(3-ETHYNYLPHENYL)-BORONIC ACID, AX8220380, BORONIC ACID, B-(3-ETHYNYLPHENYL)-, CS-0043582, Q-1572, (3-Ethynylphenyl)boronicacid, C8H7BO2,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.952g/mol
Monoisotopic Mass	146.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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