AG005NQQ

6935-23-5 | Octadecanoic acid,4-(phenylmethoxy)phenyl ester

AG005NQQ

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CAS Number	6935-23-5
Catalog Number	AG005NQQ(AGN-PC-0JOJC7)
Chemical Name	Octadecanoic acid,4-(phenylmethoxy)phenyl ester
IUPAC Name	(4-phenylmethoxyphenyl) octadecanoate
InChI	InChI=1S/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(32)34-30-25-23-29(24-26-30)33-27-28-20-17-16-18-21-28/h16-18,20-21,23-26H,2-15,19,22,27H2,1H3
InChI Key	UCRLEKRZANBRGU-UHFFFAOYSA-N
MDL Number	MFCD00026665
Molecular Formula	C31H46O3
Molecular Weight	466.6951
NSC Number	59690
SMILES	CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)OCc1ccccc1
Synonyms	4-(benzyloxy)phenyl octadecanoate, 6935-23-5, 4-BENZYLOXYPHENYL STEARATE, 4-(Benzyloxy)phenyl stearate, Octadecanoic acid,4-(phenylmethoxy)phenyl ester, NSC59690, (4-phenylmethoxyphenyl) octadecanoate, AC1L6I8T, AC1Q2W3H, AC1Q626U, CTK5C9450, DTXSID70289183, NSC-59690, AKOS024428962, ZINC100307144, MCULE-4106444443, AR-1F6681, CID246519, 80953-62-4,

Complexity	463
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	466.345g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	466.706g/mol
Monoisotopic Mass	466.345g/mol
Rotatable Bond Count	21
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number