AG003K44

78725-47-0 | 4-(4-METHOXYPHENOXY)BENZALDEHYDE 97

AG003K44

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CAS Number	78725-47-0
Catalog Number	AG003K44(AGN-PC-0N5AMA)
Chemical Name	4-(4-METHOXYPHENOXY)BENZALDEHYDE 97
IUPAC Name	4-(4-methoxyphenoxy)benzaldehyde
InChI	InChI=1S/C14H12O3/c1-16-12-6-8-14(9-7-12)17-13-4-2-11(10-15)3-5-13/h2-10H,1H3
InChI Key	XXZKVKMXUPYUTR-UHFFFAOYSA-N
MDL Number	MFCD07365214
Molecular Formula	C14H12O3
Molecular Weight	228.2433
SMILES	O=CC1=CC=C(OC2=CC=C(OC)C=C2)C=C1
Synonyms	4-(4-Methoxyphenoxy)benzaldehyde, 78725-47-0, Benzaldehyde, 4-(4-methoxyphenoxy)-, ACMC-20amvu, AC1Q4DMQ, SCHEMBL527049, CTK2G5001, DTXSID10440771, XXZKVKMXUPYUTR-UHFFFAOYSA-N, 4-(4'-Methoxyphenoxy)benzaldehyde, 5458AH, KM1933, MFCD07365214, ZINC11888073, AKOS000260702, 4-(4-Methoxyphenoxy)benzaldehyde, 97%, AJ-60337, AB1008143, ST2405391, TC-169329, 4-[(4-methoxyphenyl)oxy]benzenecarboaldehyde, FT-0766318, null, C14H12O3, 4-(4-Methoxy-phenoxy)-benzaldehyde, CID10489519,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.247g/mol
Monoisotopic Mass	228.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number