CAS
94247-75-3 Purity
96%
94247-75-3 Purity
96%
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Isopentyl-2-benzopyrone
CAS
94247-82-2
Catalog Number
ACM94247822
Category
Other Products
Molecular Weight
216.275640 [g/mol]
Molecular Formula
C14H16O2
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Specification
Synonyms
Isopentyl-2-benzopyrone, EINECS 304-253-0, 94247-82-2
IUPAC Name
3-(3-methylbutyl)chromen-2-one
Canonical SMILES
CC(C)CCC1=CC2=CC=CC=C2OC1=O
InChI Key
MUTDFGUDDPWCGY-UHFFFAOYSA-N
EC Number
304-253-0
Exact Mass
216.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Isopentyl-2-benzopyrone?
The molecular formula of Isopentyl-2-benzopyrone is C14H16O2.
What is the molecular weight of Isopentyl-2-benzopyrone?
The molecular weight of Isopentyl-2-benzopyrone is 216.27 g/mol.
When was Isopentyl-2-benzopyrone created in PubChem?
Isopentyl-2-benzopyrone was created in PubChem on August 20, 2009.
What is the IUPAC name of Isopentyl-2-benzopyrone?
The IUPAC name of Isopentyl-2-benzopyrone is 3-(3-methylbutyl)chromen-2-one.
What is the Canonical SMILES representation of Isopentyl-2-benzopyrone?
The Canonical SMILES representation of Isopentyl-2-benzopyrone is CC(C)CCC1=CC2=CC=CC=C2OC1=O.
What is the InChIKey of Isopentyl-2-benzopyrone?
The InChIKey of Isopentyl-2-benzopyrone is MUTDFGUDDPWCGY-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Isopentyl-2-benzopyrone have?
Isopentyl-2-benzopyrone has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of Isopentyl-2-benzopyrone?
The topological polar surface area of Isopentyl-2-benzopyrone is 26.3 Ų.
How many rotatable bond counts does Isopentyl-2-benzopyrone have?
Isopentyl-2-benzopyrone has 3 rotatable bond counts.
Is Isopentyl-2-benzopyrone a canonicalized compound?
Yes, Isopentyl-2-benzopyrone is a canonicalized compound in PubChem.
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CAS
94247-85-5 Purity
96%
94247-85-5 Purity
96%
