CAS
945262-32-8 Purity
96%
945262-32-8 Purity
96%
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(E)-4-(4,8-Dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxo-2-butenoic acid methyl ester
CAS
94530-77-5
Catalog Number
ACM94530775
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C18H16N2O5.
What is the molecular weight of the compound?
The molecular weight of the compound is 340.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate.
What is the InChI for the compound?
The InChI for the compound is InChI=1S/C18H16N2O5/c1-23-12-6-4-5-10-15-13(24-2)9-19-17(18(15)20-16(10)12)11(21)7-8-14(22)25-3/h4-9,20H,1-3H3/b8-7+.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is COC1=CC=CC2=C1NC3=C2C(=CN=C3C(=O)C=CC(=O)OC)OC.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 90.5 Å2.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Does the compound have any defined bond stereocenter counts?
Yes, the compound has 1 defined bond stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94530-31-1 Purity
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94530-31-1 Purity
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CAS
94532-57-7 Purity
96%
94532-57-7 Purity
96%
