AG00HFW0

121124-98-9 | 4-Benzyloxy-3-formylphenylboronic acid

AG00HFW0

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CAS Number	121124-98-9
Catalog Number	AG00HFW0(AGN-PC-0L6Z5Y)
Chemical Name	4-Benzyloxy-3-formylphenylboronic acid
IUPAC Name	(3-formyl-4-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C14H13BO4/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2
InChI Key	SELUMTHJWHLSBV-UHFFFAOYSA-N
MDL Number	MFCD02179487
Molecular Formula	C14H13BO4
Molecular Weight	256.0616
SMILES	O=CC1=CC(B(O)O)=CC=C1OCC2=CC=CC=C2
Synonyms	121124-98-9, 3-Formyl-4-benzyloxyphenylboronic acid, 4-Benzyloxy-3-formylphenylboronic acid, (4-(Benzyloxy)-3-formylphenyl)boronic acid, 4-(benzyloxy)-3-formylphenylboronic acid, (3-formyl-4-phenylmethoxyphenyl)boronic acid, Boronic acid,[3-formyl-4-(phenylmethoxy)phenyl]- (9CI), Boronic acid, [3-formyl-4-(phenylmethoxy)phenyl]-, [4-(benzyloxy)-3-formylphenyl]boronic acid, PubChem19453, ACMC-1C4AX, AC1N5E1R, SCHEMBL12030863, CTK4B2196, DTXSID00400647, ANW-17563, MFCD02179487, OR7159, AKOS004116511, ZINC169839010, AB11245, RP29124, VB10624, 3-Formyl-4-(benzyloxy)phenylboronic acid, AK-28745, CC-15196, EN000567, FS000896, SC-48118, AX8015334, DB-016008, TC-106308, FT-0642958, Z8274, 4 - Benzyloxy - 3 - formylphenylboronic acid, B-6637, (3-methanoyl-4-phenylmethoxy-phenyl)boronic acid, A804663, C-15893, J-512571, C14H13BO4, CID4193596, (3-formyl-4-phenylmethoxy-phenyl)boronic Acid,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.091g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.064g/mol
Monoisotopic Mass	256.091g/mol
Rotatable Bond Count	5
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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