AG00G9TC

796047-09-1 | Benzaldehyde, 5-(1,1-diMethylethyl)-2-(phenylMethoxy)-

AG00G9TC

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CAS Number	796047-09-1
Catalog Number	AG00G9TC(AGN-PC-0WAMZ9)
Chemical Name	Benzaldehyde, 5-(1,1-diMethylethyl)-2-(phenylMethoxy)-
IUPAC Name	5-tert-butyl-2-phenylmethoxybenzaldehyde
InChI	InChI=1S/C18H20O2/c1-18(2,3)16-9-10-17(15(11-16)12-19)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChI Key	UJTIMZSCOMGULE-UHFFFAOYSA-N
MDL Number	MFCD26393324
Molecular Formula	C18H20O2
Molecular Weight	268.3502
SMILES	c1c(ccc(c1C=O)OCc1ccccc1)C(C)(C)C
Synonyms	2-(Benzyloxy)-5-(tert-butyl)benzaldehyde, 796047-09-1, 2-(benzyloxy)-5-tert-butylbenzaldehyde, 5-tert-butyl-2-phenylmethoxybenzaldehyde, AK127931, 2-benzyloxy-5-tert-butylbenzaldehyde, SCHEMBL769395, DTXSID80716778, UJTIMZSCOMGULE-UHFFFAOYSA-N, MFCD26393324, ZINC66153120, AKOS005291757, DS-5615, AJ-115822, AX8249722, CS-0060881, Benzaldehyde, 5-(1,1-diMethylethyl)-2-(phenylMethoxy)-,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.146g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.356g/mol
Monoisotopic Mass	268.146g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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