AG003FW2

6109-54-2 | 2,5-Bis(benzyloxy)benzenecarbaldehyde

AG003FW2

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CAS Number	6109-54-2
Catalog Number	AG003FW2(AGN-PC-0KVYXP)
Chemical Name	2,5-Bis(benzyloxy)benzenecarbaldehyde
IUPAC Name	2,5-bis(phenylmethoxy)benzaldehyde
InChI	InChI=1S/C21H18O3/c22-14-19-13-20(23-15-17-7-3-1-4-8-17)11-12-21(19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI Key	MPNYEOHUDBSABW-UHFFFAOYSA-N
MDL Number	MFCD02380367
Molecular Formula	C21H18O3
Molecular Weight	318.3658
SMILES	O=CC1=CC(OCC2=CC=CC=C2)=CC=C1OCC3=CC=CC=C3
Synonyms	2,5-bis(benzyloxy)benzaldehyde, 6109-54-2, 2,5-bis(benzyloxy)benzenecarbaldehyde, 2,5-bis(phenylmethoxy)benzaldehyde, Benzaldehyde, 2,5-bis(phenylmethoxy)-, AC1MS8LR, 2,5-di-benzyloxybenzaldehyde, bisbenzyloxybenzenecarbaldehyde, 2,5-bis-benzyloxybenzaldehyde, SCHEMBL3615463, 2,5-Bis-benzyloxy-benzaldehyde, CTK2E7144, DTXSID00393368, MPNYEOHUDBSABW-UHFFFAOYSA-N, KS-00000B2X, ZINC5773623, 6639AE, MFCD02380367, AKOS005073489, FCH2725353, MD-0059, RP16450, TRA0064866, SY026772, TR-021051, FT-0681705, Z-3663, MFCD02380367 (97+%), J-507272, I01-13357, C21H18O3, CID3530399,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.126g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	318.372g/mol
Monoisotopic Mass	318.126g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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