AG002OTJ

24623-65-2 | Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-

AG002OTJ

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CAS Number	24623-65-2
Catalog Number	AG002OTJ(AGN-PC-0KYGWY)
Chemical Name	Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-
IUPAC Name	3-tert-butyl-2-hydroxybenzaldehyde
InChI	InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-7,13H,1-3H3
InChI Key	ROILLNJICXGZQQ-UHFFFAOYSA-N
MDL Number	MFCD00778877
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=Cc1cccc(c1O)C(C)(C)C
Synonyms	24623-65-2, 3-tert-Butyl-2-hydroxybenzaldehyde, 3-(tert-butyl)-2-hydroxybenzaldehyde, 3-tert-Butylsalicylaldehyde, 3-t-butylsalicylaldehyde, Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-, 3-tert-butyl-2-hydroxy-benzaldehyde, Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy-, 3-tert-butyl salicylaldehyde, ACMC-1CEEW, 3-tertbutylsalicylaldehyde, SCHEMBL173039, AC1MV745, CTK4F4062, DTXSID20394938, ROILLNJICXGZQQ-UHFFFAOYSA-N, 2-Hydroxy-3-tert-butylbenzaldehyde, 2-hydroxy-3-tert.butylbenzaldehyde, BCP04085, ZINC2569184, ANW-72842, BBL103671, MFCD00778877, RW2848, SBB064271, STL557481, 3-tert-butyl-2-oxidanyl-benzaldehyde, AKOS009158336, CS-W017318, QC-1600, AJ-41683, AK-34326, AS-20056, CJ-09856, SC-53997, SY041191, 3-tert-Butyl-2-hydroxybenzaldehyde, 96%, AB0064310, DB-046509, TC-070643, B4016, D1421, FT-0082179, FT-0602046, ST24028361, Z4487, 3 - tert - Butyl - 2 - hydroxybenzaldehyde, MFCD00778877 (95%), M-7841, A817407, I01-4522, J-015604, C11H14O2, 2-hydroxy-3-tert-butyl-benzaldehyde, ACN-025752, CID3678675,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

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