CAS
914349-13-6 Purity
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914349-13-6 Purity
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7-Benzyloxy-3-(hydroxymethyl)indole,N-boc protected
CAS
914349-16-9
Catalog Number
ACM914349169
Category
Other Products
Molecular Weight
353.41
Molecular Formula
C21H23NO4
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Specification
Synonyms
7-Benzyloxy-3-(hydroxymethyl)indole, N-boc protected;1-Boc-7-Benzyloxy-3-hydroxymethylindole
IUPAC Name
tert-butyl 3-(hydroxymethyl)-7-phenylmethoxyindole-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C(=CC=C2)OCC3=CC=CC=C3)CO
InChI Key
QMFWWQIBMLWJTH-UHFFFAOYSA-N
Boiling Point
524.9ºC at 760 mmHg
Flash Point
271.3ºC
Density
1.15g/cm³
Exact Mass
353.16300
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C21H23NO4.
What are the synonyms of the compound?
Some synonyms of the compound include tert-butyl 3-(hydroxymethyl)-7-phenylmethoxyindole-1-carboxylate, and 7-Benzyloxy-3-hydroxymethylindole-1-carboxylic acid tert-butyl ester.
When was the compound first created and last modified?
The compound was first created on May 30, 2009, and last modified on December 30, 2023.
What is the molecular weight of the compound?
The molecular weight of the compound is 353.4 g/mol.
What is the IUPAC Name of the compound?
The IUPAC name of the compound is tert-butyl 3-(hydroxymethyl)-7-phenylmethoxyindole-1-carboxylate.
What is the InChIKey of the compound?
The InChIKey of the compound is QMFWWQIBMLWJTH-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count in the compound.
How many rotatable bond counts are there in the compound?
There are 6 rotatable bond counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 60.7 Ų.
Is the compound considered canonicalized?
Yes, the compound is considered canonicalized according to PubChem.
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