CAS
94200-79-0 Purity
96%
94200-79-0 Purity
96%
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3-[(1-Methylethoxy)methyl]heptane
CAS
94200-86-9
Catalog Number
ACM94200869
Category
Other Products
Molecular Weight
172.307660 [g/mol]
Molecular Formula
C11H24O
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Specification
Synonyms
EINECS 303-567-5, 3-((1-Methylethoxy)methyl)heptane, CID3023970, 94200-86-9
IUPAC Name
3-(propan-2-yloxymethyl)heptane
Canonical SMILES
CCCCC(CC)COC(C)C
InChI Key
GQQHEKOOHGFEED-UHFFFAOYSA-N
Boiling Point
187.6ºC at 760mmHg
Flash Point
55ºC
Density
0.793g/cm³
EC Number
303-567-5
Exact Mass
172.18300
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3023970?
The molecular formula is C11H24O.
What is the molecular weight of the compound?
The molecular weight is 172.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(propan-2-yloxymethyl)heptane.
What is the InChIKey of the compound?
The InChIKey is GQQHEKOOHGFEED-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 1 hydrogen bond acceptor.
How many rotatable bonds does the compound have?
The compound has 7 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 9.2 Ų.
Does the compound have any defined atom stereocenters?
No, the compound does not have any defined atom stereocenters.
How many covalently-bonded units are present in the compound?
There is 1 covalently-bonded unit present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94200-92-7 Purity
96%
94200-92-7 Purity
96%
