CAS
97889-91-3 Purity
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97889-91-3 Purity
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![Disodium 8-anilino-5-[[4-[(2-chloro-5-sulfonatophenyl)azo]naphthyl]azo]naphthalene-1-sulfonate](https://resource.alfa-chemistry.com/structure/97889-95-7.gif)
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3,7-Dimethyloct-6-en-2-yl propionate
CAS
97889-96-8
Catalog Number
ACM97889968
Category
Other Products
Molecular Weight
212.328460 [g/mol]
Molecular Formula
C13H24O2
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Specification
Synonyms
3,7-Dimethyloct-6-en-2-yl propionate, EINECS 308-175-8, CID113423, 97889-96-8
IUPAC Name
3,7-dimethyloct-6-en-2-yl propanoate
Canonical SMILES
CCC(=O)OC(C)C(C)CCC=C(C)C
InChI Key
PVOXDQPDUIZDLB-UHFFFAOYSA-N
Boiling Point
271.9ºC at 760mmHg
Flash Point
87.5ºC
Density
0.881g/cm³
EC Number
308-175-8
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,7-Dimethyloct-6-en-2-yl propionate?
The molecular formula is C13H24O2.
When was the structure of 3,7-Dimethyloct-6-en-2-yl propionate created and modified?
The structure was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of 3,7-Dimethyloct-6-en-2-yl propionate?
The IUPAC name is 3,7-dimethyloct-6-en-2-yl propanoate.
What is the InChI of 3,7-Dimethyloct-6-en-2-yl propionate?
The InChI is InChI=1S/C13H24O2/c1-6-13(14)15-12(5)11(4)9-7-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3.
What is the InChIKey of 3,7-Dimethyloct-6-en-2-yl propionate?
The InChIKey is PVOXDQPDUIZDLB-UHFFFAOYSA-N.
How many rotatable bonds are there in 3,7-Dimethyloct-6-en-2-yl propionate?
There are 7 rotatable bonds.
What is the exact mass of 3,7-Dimethyloct-6-en-2-yl propionate?
The exact mass is 212.177630004 g/mol.
How many hydrogen bond acceptors are there in 3,7-Dimethyloct-6-en-2-yl propionate?
There are 2 hydrogen bond acceptors.
Is 3,7-Dimethyloct-6-en-2-yl propionate a canonicalized compound?
Yes, it is a canonicalized compound.
How many defined atom stereocenters are there in 3,7-Dimethyloct-6-en-2-yl propionate?
There are 0 defined atom stereocenters.
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