AG00APS5

1570-05-4 | 3,4-Bis(benzyloxy)benzoic acid

AG00APS5

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CAS Number	1570-05-4
Catalog Number	AG00APS5(AGN-PC-0NBOPY)
Chemical Name	3,4-Bis(benzyloxy)benzoic acid
IUPAC Name	3,4-bis(phenylmethoxy)benzoic acid
InChI	InChI=1S/C21H18O4/c22-21(23)18-11-12-19(24-14-16-7-3-1-4-8-16)20(13-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)
InChI Key	BYOKJLCIKSFPDU-UHFFFAOYSA-N
MDL Number	MFCD01861843
Molecular Formula	C21H18O4
Molecular Weight	334.3652
SMILES	O=C(O)C1=CC=C(OCC2=CC=CC=C2)C(OCC3=CC=CC=C3)=C1
Synonyms	3,4-Bis(benzyloxy)benzoic acid, 1570-05-4, Benzoic acid,3,4-bis(phenylmethoxy)-, 3,4-dibenzyloxybenzoic acid, Benzoic acid, 3,4-bis(phenylmethoxy)-, AK-50597, 3,4-bis(phenylmethoxy)benzoic Acid, SCHEMBL1600077, CTK4C9234, KS-00000GBT, DTXSID40445890, 3,4-bis-(Benzyloxy)benzoic acid, BYOKJLCIKSFPDU-UHFFFAOYSA-N, ZINC2386306, MFCD01861843, AKOS015899503, VZ25453, AJ-35305, AS-11910, CC-13046, DB-043335, FT-0614187, UX00002137, A809792, C-20150, I14-12113, C21H18O4, CID10854155,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.121g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	334.371g/mol
Monoisotopic Mass	334.121g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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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