CAS
92902-99-3 Purity
96%
92902-99-3 Purity
96%
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5-Hydroxy-4-methoxy-1H-indole
CAS
929045-64-7
Catalog Number
ACM929045647
Category
Other Products
Molecular Weight
163.173260 [g/mol]
Molecular Formula
C9H9NO2
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Specification
Synonyms
929045-64-7, 1h-indol-5-ol,4-methoxy-, 5-Hydroxy-4-methoxy-1H-indole, AKOS024052365, DB-079433, KB-263719
IUPAC Name
4-methoxy-1H-indol-5-ol
Canonical SMILES
COC1=C(C=CC2=C1C=CN2)O
InChI Key
WUCBSYXOZGZJNF-UHFFFAOYSA-N
Exact Mass
163.06300
H-Bond Acceptor
2
H-Bond Donor
2
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-methoxy-1H-indol-5-ol.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H9NO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 163.17 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H9NO2/c1-12-9-6-4-5-10-7(6)2-3-8(9)11/h2-5,10-11H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is WUCBSYXOZGZJNF-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=C(C=CC2=C1C=CN2)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.7.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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