AG003HCB

40138-17-8 | 2-Formyl-5-methylphenylboronic acid

AG003HCB

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CAS Number	40138-17-8
Catalog Number	AG003HCB(AGN-PC-0KZ6WL)
Chemical Name	2-Formyl-5-methylphenylboronic acid
IUPAC Name	(2-formyl-5-methylphenyl)boronic acid
InChI	InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5,11-12H,1H3
InChI Key	MMKCZTKFYDEERR-UHFFFAOYSA-N
MDL Number	MFCD00045549
Molecular Formula	C8H9BO3
Molecular Weight	163.9663
SMILES	CC1=CC(B(O)O)=C(C=O)C=C1
Synonyms	2-Formyl-5-methylphenylboronic acid, 40138-17-8, 2-Formyl-5-methylphenylboronicacid, (2-formyl-5-methylphenyl)boronic acid, (2-formyl-5-methyl-phenyl)boronic Acid, MFCD01319009, PubChem17077, ACMC-209jb3, AC1MV08F, SCHEMBL14797280, CTK4I2515, DTXSID20395566, MMKCZTKFYDEERR-UHFFFAOYSA-N, BM588, ZXBA000452, ZX-AT022239, ANW-29293, FCH922404, OR9484, AKOS004114098, ZINC169747917, AB08826, 4-Methyl-2-(dihydroxyboryl)benzaldehyde, ACM40138178, AB1004738, AX8008086, Boronic acid,B-(2-formyl-5-methylphenyl)-, DB-024908, TR-016018, A6710, FT-0678857, ST24040645, X1357, Boronic acid, B-(2-formyl-5-methylphenyl)-, B-2346, 2-Formyl-5-methylphenylboronic acid, AldrichCPR, 138F178, I01-7931, null, C8H9BO3, Cf-864, ACN-034298, CID3725157,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.967g/mol
Monoisotopic Mass	164.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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