CAS
94201-02-2 Purity
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94201-02-2 Purity
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Dihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan-2(3H)-one
CAS
94201-08-8
Catalog Number
ACM94201088
Category
Other Products
Molecular Weight
222.323280 [g/mol]
Molecular Formula
C14H22O2
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Specification
Synonyms
EINECS 303-590-0, CID3023978, Dihydro-5-((4-(1-methylethyl)-1-cyclohexen-1-yl)methyl)furan-2(3H)-one, 94201-08-8
IUPAC Name
5-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolan-2-one
Canonical SMILES
CC(C)C1CCC(=CC1)CC2CCC(=O)O2
InChI Key
WBQWMDBLUQLXSV-UHFFFAOYSA-N
Boiling Point
348.4ºC at 760mmHg
Flash Point
145ºC
Density
1.011g/cm³
EC Number
303-590-0
Exact Mass
222.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3023978?
The molecular formula is C14H22O2.
What is the molecular weight of the compound with PubChem CID 3023978?
The molecular weight is 222.32 g/mol.
What are some synonyms of the compound with PubChem CID 3023978?
Some synonyms include 94201-08-8 and Dihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan-2(3H)-one.
What is the IUPAC Name of the compound with PubChem CID 3023978?
The IUPAC Name is 5-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolan-2-one.
What is the InChIKey of the compound with PubChem CID 3023978?
The InChIKey is WBQWMDBLUQLXSV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound with PubChem CID 3023978 have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound with PubChem CID 3023978?
The exact mass is 222.161979940 g/mol.
How many rotatable bond counts does the compound with PubChem CID 3023978 have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound with PubChem CID 3023978?
The topological polar surface area is 26.3 2.
Is the compound with PubChem CID 3023978 canonicalized?
Yes, the compound is canonicalized.
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