AG001V8M

165119-29-9 | 3-(4-Benzyloxyphenyl)pentanedioic acid

AG001V8M

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CAS Number	165119-29-9
Catalog Number	AG001V8M(AGN-PC-0Q8P1Y)
Chemical Name	3-(4-Benzyloxyphenyl)pentanedioic acid
IUPAC Name	3-(4-phenylmethoxyphenyl)pentanedioic acid
InChI	InChI=1S/C18H18O5/c19-17(20)10-15(11-18(21)22)14-6-8-16(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,19,20)(H,21,22)
InChI Key	GAAFBVUBUNMNOG-UHFFFAOYSA-N
MDL Number	MFCD09991594
Molecular Formula	C18H18O5
Molecular Weight	314.3325
SMILES	OC(=O)CC(CC(O)=O)c1ccc(OCc2ccccc2)cc1
Synonyms	165119-29-9, 3-(4-(Benzyloxy)phenyl)pentanedioic acid, 3-(4-Benzyloxyphenyl)pentanedioic acid, 3-(4-Benzyloxy-phenyl)-pentanedioic acid, 3-[4-(Benzyloxy)phenyl]pentanedioic acid, SCHEMBL8182251, CTK4D2001, DTXSID50650630, GAAFBVUBUNMNOG-UHFFFAOYSA-N, ACT09081, 3-(4-Benzyloxyphenyl) glutaric acid, MFCD09991594, ZINC16696987, AKOS022172773, AJ-69214, 3-(4-phenylmethoxyphenyl)pentanedioic acid, AX8079906, RT-008385, Pentanedioic acid,3-[4-(phenylmethoxy)phenyl]-, Pentanedioic acid, 3-[4-(phenylmethoxy)phenyl]-, 2-(4-Benzyloxy-phenyl)-ethanol,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.115g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	314.337g/mol
Monoisotopic Mass	314.115g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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