CAS
918903-20-5 Purity
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918903-20-5 Purity
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6-(1,3-Benzodioxol-5-yl)pyran-2-one
CAS
91-89-4
Catalog Number
ACM91894
Category
Other Products
Molecular Weight
216.19 g/mol
Molecular Formula
C12H8O4
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Specification
Synonyms
Paracotoin, CID66683, BRN 0190940, LS-101426, 6-(3,4-(Methylenedioxy)phenyl)-2H-pyran-2-one, 2H-Pyran-2-one, 6-(3,4-(methylenedioxy)phenyl)-, 2H-Pyran-2-one, 6-(1,3-benzodioxol-5-yl)-, 4-19-00-05044 (Beilstein Handbook Reference), 2H-Pyran-2-one, 6-(1,3-benzodioxol-5-yl)- (9CI), 2,4-Pentadienoic acid, 5-hydroxy-5-(3,4-(methylenedioxy)phenyl)-, delta-lactone, 91-89-4
IUPAC Name
6-(1,3-benzodioxol-5-yl)pyran-2-one
Canonical SMILES
C1OC2=C(O1)C=C(C=C2)C3=CC=CC(=O)O3
InChI Key
FTGVBKACGWMZPN-UHFFFAOYSA-N
Boiling Point
428.5ºC at 760 mmHg
Flash Point
196.2ºC
Density
1.404g/cm³
Exact Mass
216.04200
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 6-(1,3-benzodioxol-5-yl)pyran-2-one?
The molecular formula of 6-(1,3-benzodioxol-5-yl)pyran-2-one is C12H8O4.
When was the PubChem CID 66683 created?
PubChem CID 66683 was created on August 8, 2005.
What is the molecular weight of 6-(1,3-benzodioxol-5-yl)pyran-2-one?
The molecular weight of 6-(1,3-benzodioxol-5-yl)pyran-2-one is 216.19 g/mol.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)pyran-2-one?
The InChIKey of 6-(1,3-benzodioxol-5-yl)pyran-2-one is FTGVBKACGWMZPN-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in 6-(1,3-benzodioxol-5-yl)pyran-2-one?
There are 4 hydrogen bond acceptors in 6-(1,3-benzodioxol-5-yl)pyran-2-one.
What is the topological polar surface area of 6-(1,3-benzodioxol-5-yl)pyran-2-one?
The topological polar surface area of 6-(1,3-benzodioxol-5-yl)pyran-2-one is 44.8 Ų.
Is 6-(1,3-benzodioxol-5-yl)pyran-2-one a canonicalized compound?
Yes, 6-(1,3-benzodioxol-5-yl)pyran-2-one is a canonicalized compound.
How many rotatable bonds are there in 6-(1,3-benzodioxol-5-yl)pyran-2-one?
There is 1 rotatable bond in 6-(1,3-benzodioxol-5-yl)pyran-2-one.
What is the exact mass of 6-(1,3-benzodioxol-5-yl)pyran-2-one?
The exact mass of 6-(1,3-benzodioxol-5-yl)pyran-2-one is 216.04225873 g/mol.
What is the formal charge of 6-(1,3-benzodioxol-5-yl)pyran-2-one?
The formal charge of 6-(1,3-benzodioxol-5-yl)pyran-2-one is 0.
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918952-57-5 Purity
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918952-57-5 Purity
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