CAS
94135-39-4 Purity
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94135-39-4 Purity
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1H-Pyrido[3,4-b]indole-1-aceticacid,2,3,4,9-tetrahydro-,ethyl ester
CAS
94135-47-4
Catalog Number
ACM94135474
Category
Other Products
Molecular Weight
258.31562
Molecular Formula
C15H18N2O2
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What is the molecular formula of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The molecular formula is C15H18N2O2.
What is the molecular weight of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The molecular weight is 258.32 g/mol.
What is the IUPAC name of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The IUPAC name is ethyl 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetate.
What is the InChI code for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The InChI code is InChI=1S/C15H18N2O2/c1-2-19-14(18)9-13-15-11(7-8-16-13)10-5-3-4-6-12(10)17-15/h3-6,13,16-17H,2,7-9H2,1H3.
What is the InChIKey for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The InChIKey is YXFXKGBICGUOJR-UHFFFAOYSA-N.
What is the Canonical SMILES for ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The Canonical SMILES is CCOC(=O)CC1C2=C(CCN1)C3=CC=CC=C3N2.
How many hydrogen bond donor counts are there in ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
There are 2 hydrogen bond donor counts.
What is the topological polar surface area of ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetic acid?
The topological polar surface area is 54.1 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the molecule last modified?
The molecule was last modified on December 30, 2023.
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