CAS
94201-86-2 Purity
96%
94201-86-2 Purity
96%
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6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone
CAS
94201-89-5
Catalog Number
ACM94201895
Category
Other Products
Molecular Weight
440.444240 [g/mol]
Molecular Formula
C18H16O9S2
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Specification
Synonyms
EINECS 303-679-4, 6,7-Bis(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone, 94201-89-5
IUPAC Name
[3-(4-methoxyphenyl)-7-methylsulfonyloxy-4-oxochromen-6-yl] methanesulfonate
Canonical SMILES
COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OS(=O)(=O)C)OS(=O)(=O)C
InChI Key
SNMFEUASECRBOZ-UHFFFAOYSA-N
EC Number
303-679-4
Exact Mass
440.02400
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The molecular formula is C18H16O9S2.
What is the molecular weight of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The molecular weight is 440.4 g/mol.
What is the IUPAC Name of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The IUPAC Name is [3-(4-methoxyphenyl)-7-methylsulfonyloxy-4-oxochromen-6-yl] methanesulfonate.
What is the InChI of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The InChI is InChI=1S/C18H16O9S2/c1-24-12-6-4-11(5-7-12)14-10-25-15-9-17(27-29(3,22)23)16(26-28(2,20)21)8-13(15)18(14)19/h4-10H,1-3H3.
What is the InChIKey of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The InChIKey is SNMFEUASECRBOZ-UHFFFAOYSA-N.
What is the canonical SMILES of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The canonical SMILES is COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OS(=O)(=O)C)OS(=O)(=O)C.
How many hydrogen bond acceptor counts does 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone have?
6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone has 9 hydrogen bond acceptor counts.
What is the topological polar surface area of 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone?
The topological polar surface area is 139 Ų.
How many rotatable bond counts does 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone have?
It has 6 rotatable bond counts.
Is 6,7-Bis-(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
94201-90-8 Purity
96%
94201-90-8 Purity
96%
