AG00BZBB

35129-22-7 | 2-tert-Butoxybenzaldehyde

AG00BZBB

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CAS Number	35129-22-7
Catalog Number	AG00BZBB(AGN-PC-0033SL)
Chemical Name	2-tert-Butoxybenzaldehyde
IUPAC Name	2-[(2-methylpropan-2-yl)oxy]benzaldehyde
InChI	InChI=1S/C11H14O2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8H,1-3H3
InChI Key	NAGSWLQWNWNACQ-UHFFFAOYSA-N
MDL Number	MFCD02258844
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	CC(OC1=C(C=O)C=CC=C1)(C)C
Synonyms	2-TERT-BUTOXYBENZALDEHYDE, 35129-22-7, 2-(tert-Butoxy)benzaldehyde, tert-Butoxybenzaldehyd, o-(tert-Butoxy)benzaldehyde, SCHEMBL1132167, CTK8C2616, DTXSID40566039, NAGSWLQWNWNACQ-UHFFFAOYSA-N, (2-TERT-BUTOXY)BENZALDEHYDE, KS-00000B0N, ZINC2579047, 4325AB, ANW-68686, MFCD02258844, AKOS016005995, AB11684, AJ-42799, AS-31859, SY016270, 2-[(2-methylpropan-2-yl)oxy]benzaldehyde, AB0064340, TC-157431, K-7970, MFCD02258844 (97+%), C11H14O2,

Complexity	169
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	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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