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Structure

(6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester

CAS
908003-80-5
Catalog Number
ACM908003805
Category
Other Products
Molecular Weight
249.2658
Molecular Formula
C13H15NO4

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Specification

Synonyms
(6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester;Methyl (6,7-dimethoxy-1H-indol-3-yl)-acetate
IUPAC Name
methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate
Canonical SMILES
COC1=C(C2=C(C=C1)C(=CN2)CC(=O)OC)OC
InChI Key
TUWWXGSJJVKHRM-UHFFFAOYSA-N
Exact Mass
249.10000
H-Bond Acceptor
4
H-Bond Donor
1
MDL Number
MFCD11501436
Size
500mg,1g,5g
What is the molecular formula of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The molecular formula is C13H15NO4.

What are the synonyms of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The synonyms are (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester, 908003-80-5, methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate, DTXSID90695141, SB39794.

What is the molecular weight of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The molecular weight is 249.26 g/mol.

What is the IUPAC name of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The IUPAC name is methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate.

What is the InChI of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The InChI is InChI=1S/C13H15NO4/c1-16-10-5-4-9-8(6-11(15)17-2)7-14-12(9)13(10)18-3/h4-5,7,14H,6H2,1-3H3.

What is the InChIKey of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The InChIKey is TUWWXGSJJVKHRM-UHFFFAOYSA-N.

What is the canonical SMILES of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The canonical SMILES is COC1=C(C2=C(C=C1)C(=CN2)CC(=O)OC).

What is the CAS number of (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester?

The CAS number is 908003-80-5.

Is (6,7-Dimethoxy-1H-indol-3-yl)-acetic acid methyl ester a canonicalized compound?

Yes, it is a canonicalized compound.

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