AG003M80

84501-28-0 | 4-tert-Butyl-2,6-diformylphenol

AG003M80

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CAS Number	84501-28-0
Catalog Number	AG003M80(AGN-PC-0KL9I4)
Chemical Name	4-tert-Butyl-2,6-diformylphenol
IUPAC Name	5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
InChI	InChI=1S/C12H14O3/c1-12(2,3)10-4-8(6-13)11(15)9(5-10)7-14/h4-7,15H,1-3H3
InChI Key	WQNTWZJPCLUXQC-UHFFFAOYSA-N
MDL Number	MFCD01567135
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	O=CC1=CC(C(C)(C)C)=CC(C=O)=C1O
Synonyms	84501-28-0, 5-(tert-Butyl)-2-hydroxyisophthalaldehyde, 4-tert-Butyl-2,6-diformylphenol, 5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde, 1,3-Benzenedicarboxaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-, AC1MDZOB, ACMC-20am7q, butylhydroxyisophthalaldehyde, SCHEMBL419690, 2,6-diformyl-4-t-butylphenol, CTK5F2517, 2,6-diformyl-4-tert-butylphenol, DTXSID90383990, ZINC165790, ZX-AT022207, 0458AF, 4-(tert-Butyl)-2,6-diformylphenol, MFCD01567135, SBB093662, AKOS004120632, OR29399, QC-1494, RP12018, TRA0002617, 5-tert-butyl-2-hydroxyisophthalaldehyde, KS-0000189L, 4-tert-Butyl-2,6-diformylphenol, 96%, AJ-16434, AK123624, SC-98323, ZB008540, 5-(tert-Butyl);-2-hydroxyisophthalaldehyde, DB-076049, TR-026118, AM20041237, FT-0680018, 11N-950, A840823, 5-(tert-butyl)-2-hydroxybenzene-1,3-dicarbaldehyde, 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxaldehyde, 5-tert-butyl-2-oxidanyl-benzene-1,3-dicarbaldehyde, J-516408, 5-(tert-Butyl)-2-hydroxybenzene-1,3-dicarboxaldehyde, I14-26739, 1,3-Benzenedicarboxaldehyde,5-(1,1-dimethylethyl)-2-hydroxy-, 5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedicarboxaldehyde, C12H14O3, ZINC00165790, ACN-041880, CID2798276, 13010-53-2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number