AG003BSF

1072952-00-1 | (3-Formyl-4-isopropoxyphenyl)boronic acid

AG003BSF

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CAS Number	1072952-00-1
Catalog Number	AG003BSF(AGN-PC-00UQW5)
Chemical Name	(3-Formyl-4-isopropoxyphenyl)boronic acid
IUPAC Name	(3-formyl-4-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C10H13BO4/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-7,13-14H,1-2H3
InChI Key	MFWMHBLPARKSLU-UHFFFAOYSA-N
MDL Number	MFCD08705272
Molecular Formula	C10H13BO4
Molecular Weight	208.0188
SMILES	CC(OC1=CC=C(B(O)O)C=C1C=O)C
Synonyms	1072952-00-1, 3-Formyl-4-isopropoxyphenylboronic acid, (3-Formyl-4-isopropoxyphenyl)boronic acid, ACMC-2098u5, CTK4A5315, DTXSID50584800, ANW-15723, MFCD08705272, AKOS015837467, ZINC169903728, RTR-001656, OR361232, AX8231545, TR-001656, Z7097, A-4762, 3-Formyl-4-isopropoxyphenylboronic acid, >=95%, [3-formyl-4-(propan-2-yloxy)phenyl]boronic acid, {3-Formyl-4-[(propan-2-yl)oxy]phenyl}boronic acid, I04-1936, C10H13BO4,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.02g/mol
Monoisotopic Mass	208.091g/mol
Rotatable Bond Count	4
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number