2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetic Acid - CAS 101601-00-7

Catalog:	BB000564
Product Name:	2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetic Acid
CAS:	101601-00-7
Synonyms:	2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid; 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid

Technical Data

IUPAC Name:	2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
Description:	2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetic Acid (CAS# 101601-00-7) is a derivative of 5-Benzyloxyindole (B285949) and is used as a reagent in the synthesis of indole-3-acetic acids.
Molecular Weight:	295.29
Molecular Formula:	C17H13NO4
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C(=O)C(=O)O
InChI:	InChI=1S/C17H13NO4/c19-16(17(20)21)14-9-18-15-7-6-12(8-13(14)15)22-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H,20,21)
InChI Key:	OLSKVXZVSAPWRO-UHFFFAOYSA-N
LogP:	3.01420

Complexity:	419
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.0844579
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	295.0844579
Rotatable Bond Count:	5
Topological Polar Surface Area:	79.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9