CAS
920339-08-8 Purity
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920339-08-8 Purity
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8-Oxododecanoic acid
CAS
92037-99-5
Catalog Number
ACM92037995
Category
Other Products
Molecular Weight
214.3
Molecular Formula
C12H22O3
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Specification
Synonyms
8-OXODODECANOIC ACID;8-Ketolauric acid;8-Oxolauric acid
IUPAC Name
8-oxododecanoic acid
Canonical SMILES
CCCCC(=O)CCCCCCC(=O)O
InChI Key
AKUXZPGBXGKAGN-UHFFFAOYSA-N
Boiling Point
364.1ºC at 760 mmHg
Flash Point
188.2ºC
Density
0.981g/cm³
Exact Mass
214.15700
H-Bond Acceptor
3
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is 8-oxododecanoic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C12H22O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 214.30 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is AKUXZPGBXGKAGN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass of the compound is 214.15689456 g/mol.
How many rotatable bond count does the compound have?
The compound has 10 rotatable bond count.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area of the compound is 54.4 ?2.
How many heavy atom counts does the compound have?
The compound has 15 heavy atom counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
92034-59-8 Purity
96%
92034-59-8 Purity
96%
