AG00IJGF

958030-46-1 | (2-Formyl-3-methoxyphenyl)boronic acid

AG00IJGF

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CAS Number	958030-46-1
Catalog Number	AG00IJGF(AGN-PC-0WNGD8)
Chemical Name	(2-Formyl-3-methoxyphenyl)boronic acid
IUPAC Name	(2-formyl-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C8H9BO4/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-5,11-12H,1H3
InChI Key	XSAPYCFXQHQPMM-UHFFFAOYSA-N
MDL Number	MFCD10566986
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	C(=O)C1=C(C=CC=C1OC)B(O)O
Synonyms	(2-FORMYL-3-METHOXYPHENYL)BORONIC ACID, 958030-46-1, 2-aldehyde-3-methoxyphenyl boronic acid, AK167830, Boronic acid, B-(2-formyl-3-methoxyphenyl)-, SCHEMBL4009785, XSAPYCFXQHQPMM-UHFFFAOYSA-N, 3-methoxy-2-formylphenylboronic acid, FCH843324, MFCD01319042, AKOS006279808, ZINC200990164, AB08868, DS-9579, AM808079, 2-FORMYL-3-METHOXYPHENYLBORONIC ACID, ACN-046504, Boronic acid, B-(2-formyl-3-methoxyphenyl),

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.966g/mol
Monoisotopic Mass	180.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^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

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