CAS
921753-24-4 Purity
96%
921753-24-4 Purity
96%
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(2-Methyl-N-butyryl)shikonin
CAS
92175-42-3
Catalog Number
ACM92175423
Category
Other Products
Molecular Weight
372.41
Molecular Formula
C21H24O6
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Specification
Synonyms
ALPHA-METHYL-N-BUTYRYLSHIKONIN;5,8-DIHYDROXY-2-[1-(2-METHYL-N-BUTYRYLOXY)-4-METHYL-3-PENTENYL]-1,4-NAPHTHALENEDIONE;(2-METHYL-N-BUTYRYL)SHIKONIN
What is the molecular formula of (2-Methyl-N-butyryl)shikonin?
The molecular formula is C21H24O6.
What is the molecular weight of (2-Methyl-N-butyryl)shikonin?
The molecular weight is 372.4 g/mol.
What is the IUPAC name of (2-Methyl-N-butyryl)shikonin?
The IUPAC name is [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylbutanoate.
What is the InChI key of (2-Methyl-N-butyryl)shikonin?
The InChI key is ODQATBANLZCROD-UHFFFAOYSA-N.
What is the Canonical SMILES of (2-Methyl-N-butyryl)shikonin?
The Canonical SMILES is CCC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O.
What is the CAS number of (2-Methyl-N-butyryl)shikonin?
The CAS number is 52387-15-2.
How many hydrogen bond donor counts does (2-Methyl-N-butyryl)shikonin have?
It has 2 hydrogen bond donor counts.
What is the exact mass of (2-Methyl-N-butyryl)shikonin?
The exact mass is 372.15728848 g/mol.
How many rotatable bond counts does (2-Methyl-N-butyryl)shikonin have?
It has 7 rotatable bond counts.
Is (2-Methyl-N-butyryl)shikonin a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
921760-47-6 Purity
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921760-47-6 Purity
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