CAS
94248-60-9 Purity
96%
94248-60-9 Purity
96%
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Isooctyl hydrogen glutarate
CAS
94248-70-1
Catalog Number
ACM94248701
Category
Other Products
Molecular Weight
244.327260 [g/mol]
Molecular Formula
C13H24O4
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Specification
Synonyms
Isooctyl hydrogen glutarate, EINECS 304-344-5, 94248-70-1
IUPAC Name
5-(6-methylheptoxy)-5-oxopentanoic acid
Canonical SMILES
CC(C)CCCCCOC(=O)CCCC(=O)O
InChI Key
CTXSTFRGAWSIFV-UHFFFAOYSA-N
EC Number
304-344-5
Exact Mass
244.16700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Isooctyl hydrogen glutarate?
The molecular formula of Isooctyl hydrogen glutarate is C13H24O4.
What is the molecular weight of Isooctyl hydrogen glutarate?
The molecular weight of Isooctyl hydrogen glutarate is 244.33 g/mol.
When was Isooctyl hydrogen glutarate created on PubChem?
Isooctyl hydrogen glutarate was created on PubChem on August 20, 2009.
What is the IUPAC name of Isooctyl hydrogen glutarate?
The IUPAC name of Isooctyl hydrogen glutarate is 5-(6-methylheptoxy)-5-oxopentanoic acid.
What is the InChIKey of Isooctyl hydrogen glutarate?
The InChIKey of Isooctyl hydrogen glutarate is CTXSTFRGAWSIFV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Isooctyl hydrogen glutarate have?
Isooctyl hydrogen glutarate has 1 hydrogen bond donor count.
What is the topological polar surface area of Isooctyl hydrogen glutarate?
The topological polar surface area of Isooctyl hydrogen glutarate is 63.6 Ų.
Is Isooctyl hydrogen glutarate a canonicalized compound?
Yes, Isooctyl hydrogen glutarate is a canonicalized compound.
How many rotatable bond counts does Isooctyl hydrogen glutarate have?
Isooctyl hydrogen glutarate has 11 rotatable bond counts.
What is the exact mass of Isooctyl hydrogen glutarate?
The exact mass of Isooctyl hydrogen glutarate is 244.16745924 g/mol.
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