CAS
94202-09-2 Purity
96%
94202-09-2 Purity
96%
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2-(Heptyloxy)-3-methylcyclopent-2-en-1-one
CAS
94202-12-7
Catalog Number
ACM94202127
Category
Other Products
Molecular Weight
210.312580 [g/mol]
Molecular Formula
C13H22O2
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Specification
Synonyms
EINECS 303-704-9, CID3024017, 2-(Heptyloxy)-3-methylcyclopent-2-en-1-one, 94202-12-7
IUPAC Name
2-heptoxy-3-methylcyclopent-2-en-1-one
Canonical SMILES
CCCCCCCOC1=C(CCC1=O)C
InChI Key
DTNSBJIEHMLBJE-UHFFFAOYSA-N
Boiling Point
320.8ºC at 760mmHg
Flash Point
131.4ºC
Density
0.95g/cm³
EC Number
303-704-9
Exact Mass
210.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3024017?
The molecular formula is C13H22O2.
What is the molecular weight of the compound?
The molecular weight is 210.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-heptoxy-3-methylcyclopent-2-en-1-one.
What is the InChI of the compound?
The InChI is InChI=1S/C13H22O2/c1-3-4-5-6-7-10-15-13-11(2)8-9-12(13)14/h3-10H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is DTNSBJIEHMLBJE-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCCCCOC1=C(CCC1=O)C.
What is the CAS number of the compound?
The CAS number is 94202-12-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.5.
How many hydrogen bond acceptors are there in the compound?
There are 2 hydrogen bond acceptors.
Is the compound is canonicalized?
Yes, the compound is canonicalized.
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