AG00DB6Q

54544-05-7 | Methyl 3,4-bis(benzyloxy)benzoate

AG00DB6Q

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CAS Number	54544-05-7
Catalog Number	AG00DB6Q(AGN-PC-0N6BVP)
Chemical Name	Methyl 3,4-bis(benzyloxy)benzoate
IUPAC Name	methyl 3,4-bis(phenylmethoxy)benzoate
InChI	InChI=1S/C22H20O4/c1-24-22(23)19-12-13-20(25-15-17-8-4-2-5-9-17)21(14-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChI Key	SLYKXRFTRIYUJV-UHFFFAOYSA-N
MDL Number	MFCD06203841
Molecular Formula	C22H20O4
Molecular Weight	348.3918
SMILES	O=C(OC)C1=CC=C(OCC2=CC=CC=C2)C(OCC3=CC=CC=C3)=C1
Synonyms	Methyl 3,4-bis(benzyloxy)benzoate, 54544-05-7, Methyl 3,4-bis(phenylmethoxy)benzoate, SCHEMBL3245222, CTK1F8633, KS-00001EEE, DTXSID80441593, methyl3,4-bis(benzyloxy)benzoate, SLYKXRFTRIYUJV-UHFFFAOYSA-N, CS-M1191, 3825AH, MFCD06203841, ZINC39008119, AKOS022187103, AJ-97335, CS-13279, 3,4-Dibenzyloxy benzoic acid methyl ester, AX8284450, 3,4-Bis(benzyloxy)benzoic acid methyl ester, Benzoic acid, 3,4-bis(phenylmethoxy)-, methyl ester, C22H20O4, CID10545660,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.136g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	348.398g/mol
Monoisotopic Mass	348.136g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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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