AG00IG3W

903510-64-5 | (E)-2-Cyclopropylvinylboronic acid, containing 50% water

AG00IG3W

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CAS Number	903510-64-5
Catalog Number	AG00IG3W(AGN-PC-0WA2DY)
Chemical Name	(E)-2-Cyclopropylvinylboronic acid, containing 50% water
IUPAC Name	[(E)-2-cyclopropylethenyl]boronic acid
InChI	InChI=1S/C5H9BO2/c7-6(8)4-3-5-1-2-5/h3-5,7-8H,1-2H2/b4-3+
InChI Key	CXOVKAPKXOICSX-ONEGZZNKSA-N
MDL Number	MFCD06202453
Molecular Formula	C5H9BO2
Molecular Weight	111.9348
SMILES	OB(O)C=CC1CC1
Synonyms	(E)-(2-Cyclopropylvinyl)boronic acid, 903510-64-5, (E)-2-Cyclopropylvinylboronic acid, [(E)-2-CYCLOPROPYLETHENYL]BORONIC ACID, SCHEMBL12484485, SCHEMBL12484490, DTXSID20717002, AKOS006292196, ZINC169978222, AB23138, Boronic acid, B-(2-cyclopropylethenyl)-, V8900, D-1477, EN300-216162, C5H9BO2, 1121058-18-1,

Complexity	96.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	112.07g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	111.935g/mol
Monoisotopic Mass	112.07g/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-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338-P280-P411
UN Code

Certificate of Analysis

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